(Q105276089)

English

[9,10-Diacetyloxy-3a,5,13-trihydroxy-2,5,8,8-tetramethyl-11-(2-methylbut-2-enoyloxy)-12-methylidene-4-oxo-1,2,3,9,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] 2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₃₄H₄₈O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

jatrophane diterpenoid

1 reference

inferred from

jatrophane diterpenoid

mass

648.314576976 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₈O₁₂

0 references

canonical SMILES

O=C(OC1C(=C)C(O)C2C(OC(=O)C(=CC)C)C(C)CC2(O)C(=O)C(O)(C=CC(C)(C)C(OC(=O)C)C1OC(=O)C)C)C(=CC)C

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Identifiers

InChI

InChI=1S/C34H48O12/c1-12-17(3)29(38)45-25-19(5)16-34(42)23(25)24(37)20(6)26(46-30(39)18(4)13-2)27(43-21(7)35)28(44-22(8)36)32(9,10)14-15-33(11,41)31(34)40/h12-15,19,23-28,37,41-42H,6,16H2,1-5,7-11H3

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InChIKey

UNPHZBCKIACYHX-UHFFFAOYSA-N

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PubChem CID

162962373

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UNPHZBCKIACYHX-UHFFFAOYSA-N

(Q105276089)

[9,10-Diacetyloxy-3a,5,13-trihydroxy-2,5,8,8-tetramethyl-11-(2-methylbut-2-enoyloxy)-12-methylidene-4-oxo-1,2,3,9,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] 2-methylbut-2-enoate

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