(Q113960200)

English

(1R,3E,5R,7S,9S,11R,12R,13S,14S)-1,9,11-tris(acetyloxy)-3,6,6,14-tetramethyl-10-methylidene-2-oxotricyclo[10.3.0.0⁵,⁷]pentadec-3-en-13-yl benzoate

chemical compound

In more languages

Statements

type of chemical entity

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lathyrane diterpenoid

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based on heuristic

inferred from SMILES

580.26723286 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₀O₉

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canonical SMILES

O=C(OC1C(C)CC2(OC(=O)C)C(=O)C(=CC3C(CC(OC(=O)C)C(=C)C(OC(=O)C)C12)C3(C)C)C)C=4C=CC=CC4

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isomeric SMILES

C=C1[C@@H](OC(C)=O)C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C

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Euphorbia lathyris

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Anti-inflammatory Lathyrane Diterpenoids from Euphorbia lathyris

Identifiers

InChI=1S/C33H40O9/c1-17-14-24-25(32(24,7)8)15-26(39-20(4)34)19(3)29(40-21(5)35)27-28(41-31(38)23-12-10-9-11-13-23)18(2)16-33(27,30(17)37)42-22(6)36/h9-14,18,24-29H,3,15-16H2,1-2,4-8H3/b17-14+/t18-,24+,25-,26-,27+,28-,29-,33+/m0/s1

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PTSHQWKMFOMIER-MIVDMJLNSA-N

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