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Chemistry, part 2

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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 > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b oleyl ester
... > 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 oleyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b oleyl ester
... > 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 oleyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b oleyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > cucurbitacin b oleyl ester

Preferred term

cucurbitacin b oleyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C50H78O9

inchi

  • InChI=1S/C50H78O9/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-42(55)58-38-32-47(7)39-28-27-35-36(31-37(52)44(56)46(35,5)6)49(39,9)41(54)33-48(47,8)43(38)50(10,57)40(53)29-30-45(3,4)59-34(2)51/h18-19,27,29-30,36-39,43,52,57H,11-17,20-26,28,31-33H2,1-10H3/b19-18-,30-29+/t36-,37+,38-,39+,43?,47+,48-,49+,50?/m1/s1

inchikey

  • OBAIMZMTBKKNFQ-ZAGVHFGVSA-N

mass

  • 823.165

monoisotopicmass

  • 822.56458

smiles

  • O=C1C(C2=CC[C@H]3[C@]4([C@](C(C(O)(C(=O)/C=C/C(OC(=O)C)(C)C)C)[C@@H](C4)OC(=O)CCCCCCC/C=C/CCCCCCCC)(C)CC([C@]3([C@@H]2C[C@@H]1O)C)=O)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(2S,8S,9R,10R,13R,14S,16R)-17-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl] (Z)-octadec-9-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200026

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