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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > ketone > oxo steroid > penisimplicin 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 > oxo steroid > penisimplicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > oxo steroid > penisimplicin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > oxo steroid > penisimplicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > penisimplicin 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 > steroid > oxo steroid > penisimplicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > oxo steroid > penisimplicin b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > oxo steroid > penisimplicin b

Preferred term

penisimplicin b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H38O8

inchi

  • InChI=1S/C28H38O8/c1-14-12-17-25(5)11-10-18(30)24(3,4)16(25)13-19(35-15(2)29)27(17,7)20-21(31)36-28(8,23(33)34-9)22(32)26(14,20)6/h16-17,19-20H,1,10-13H2,2-9H3/t16-,17+,19-,20+,25-,26-,27-,28+/m0/s1

inchikey

  • FGZLCLGKDVEDKX-WAGVZALHSA-N

mass

  • 502.604

monoisotopicmass

  • 502.25667

smiles

  • O=C1[C@@](OC(=O)[C@@H]2[C@@]1(C(=C)C[C@@H]3[C@@]4([C@H](C(C(=O)CC4)(C)C)C[C@@H]([C@@]23C)OC(=O)C)C)C)(C(=O)OC)C

subset

  • 2_STAR

synonym EXACT

  • methyl (2R,4aS,4bR,5S,6aR,10aR,10bR,12aR)-5-acetyloxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205175

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