(Q105162023)

English

(1S,2R,3aR,4R,5R,11R,13aS)-11-(acetyloxy)-3a,4-dihydroxy-2,5,8,8,12-pentamethyl-9-oxo-1H,2H,3H,4H,5H,10H,11H,13aH-cyclopenta[12]annulen-1-yl benzoate

chemical compound

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Statements

type of chemical entity

0 references

(11-Acetyloxy-3a,4-dihydroxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-1-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

498.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₇

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canonical SMILES

O=C(OC1C2C=C(C)C(OC(=O)C)CC(=O)C(C=CC(C)C(O)C2(O)CC1C)(C)C)C=3C=CC=CC3

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isomeric SMILES

CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](O)[C@@]2(O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C

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Euphorbia helioscopia

1 reference

Diterpenes from Euphorbia helioscopia

Identifiers

InChI=1S/C29H38O7/c1-17-12-13-28(5,6)24(31)15-23(35-20(4)30)18(2)14-22-25(19(3)16-29(22,34)26(17)32)36-27(33)21-10-8-7-9-11-21/h7-14,17,19,22-23,25-26,32,34H,15-16H2,1-6H3/b13-12+,18-14+/t17-,19-,22+,23-,25+,26-,29-/m1/s1

0 references

MDYKLCGYAGWJNL-UCOYIGIGSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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