(Q113960204)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

lathyrane diterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

552.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₈

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canonical SMILES

O=C(OCC1=CC2C(OC(=O)C(O)C=3C=CC=CC3)C(C)CC2(OC(=O)C)C(=O)C(=CC4C(CC1)C4(C)C)C)C

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isomeric SMILES

CC(=O)OC/C1=C/[C@H]2[C@@H](OC(=O)[C@H](O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)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/C32H40O8/c1-18-14-25-24(31(25,5)6)13-12-22(17-38-20(3)33)15-26-28(19(2)16-32(26,29(18)36)40-21(4)34)39-30(37)27(35)23-10-8-7-9-11-23/h7-11,14-15,19,24-28,35H,12-13,16-17H2,1-6H3/b18-14+,22-15+/t19-,24-,25+,26-,27+,28-,32+/m0/s1

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InChIKey

JXWOMAJAVVBFON-MXPOVHOVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JXWOMAJAVVBFON-MXPOVHOVSA-N

1 reference

(Q113960204)

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

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Identifiers

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