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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > tertiary alcohol > tertiary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > tertiary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > cucurbitacin b
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > tertiary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > secondary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > secondary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > cucurbitacin b
... > organooxygen compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha-hydroxy ketone > secondary alpha-hydroxy ketone > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b

Preferred term

cucurbitacin b  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H46O8

has_parent_hydride

inchi

  • InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

inchikey

  • IXQKXEUSCPEQRD-DKRGWESNSA-N

mass

  • 558.70280

monoisotopicmass

  • 558.31927

smiles

  • [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)/C=C/C(C)(C)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C

subset

  • 3_STAR

synonym EXACT

  • (2S,4R,23E)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-25-yl acetate
  • cucurbitacin B

synonym RELATED

  • 1,2-dihydro-alpha-elaterin
  • 2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 25-acetate
  • 2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanosta-5,23-dien-25-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3941

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