(Q105150871)

English

(3a-Acetyloxy-13-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-1,2,3,7,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl) 2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₇H₃₈O₇

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Statements

group of stereoisomers

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jatrophane diterpenoid

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jatrophane diterpenoid

474.2617535559998 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₇

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canonical SMILES

O=C(OC1C(C)CC2(OC(=O)C)C(=O)C(=CCC(C(=O)CCC(=C)C(O)C12)(C)C)C)C(=CC)C

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Identifiers

InChI=1S/C27H38O7/c1-9-15(2)25(32)33-23-18(5)14-27(34-19(6)28)21(23)22(30)16(3)10-11-20(29)26(7,8)13-12-17(4)24(27)31/h9,12,18,21-23,30H,3,10-11,13-14H2,1-2,4-8H3

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LEXVKVVNQLZNKL-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LEXVKVVNQLZNKL-UHFFFAOYSA-N

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