(Q113960205)

English

[(1R,3E,5R,7S,9E,11R,12R,13S,14S)-11-acetyloxy-10-(acetyloxymethyl)-1-hydroxy-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

lathyrane diterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

538.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈O₈

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canonical SMILES

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

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isomeric SMILES

CC(=O)OC/C1=C\C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(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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found in taxon

Euphorbia lathyris

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stated in

Anti-inflammatory Lathyrane Diterpenoids from Euphorbia lathyris

Identifiers

InChI

InChI=1S/C31H38O8/c1-17-14-24-23(30(24,5)6)13-12-22(16-37-19(3)32)27(38-20(4)33)25-26(18(2)15-31(25,36)28(17)34)39-29(35)21-10-8-7-9-11-21/h7-12,14,18,23-27,36H,13,15-16H2,1-6H3/b17-14+,22-12+/t18-,23-,24+,25+,26-,27-,31+/m0/s1

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InChIKey

SXSHJOSQALDWIG-IHERWWFXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SXSHJOSQALDWIG-IHERWWFXSA-N

1 reference

(Q113960205)

[(1R,3E,5R,7S,9E,11R,12R,13S,14S)-11-acetyloxy-10-(acetyloxymethyl)-1-hydroxy-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] benzoate

Statements

Identifiers

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