(Q110076678)

English

[(1R,2S,5S,6S,7S,8R,9S)-8-acetyloxy-6-(acetyloxymethyl)-2,12-dihydroxy-2,10,10-trimethyl-5-[(Z)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-2-carboxylate

group of stereoisomers with the chemical formula C₃₃H₃₈O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

626.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₁₂

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canonical SMILES

O=C(OC1CCC(O)(C)C23OC(C)(C)C(C2O)C(OC(=O)C)C(OC(=O)C=4OC=CC4)C13COC(=O)C)C=CC=5C=CC=CC5

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isomeric SMILES

CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C\c3ccccc3)CC[C@](C)(O)[C@@]13OC(C)(C)[C@@H](C3O)[C@@H](OC(C)=O)[C@H]2OC(=O)c1ccco1

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found in taxon

Tripterygium wilfordii

1 reference

stated in

The genus Tripterygium: A phytochemistry and pharmacological review

Identifiers

InChI

InChI=1S/C33H38O12/c1-19(34)41-18-32-23(43-24(36)14-13-21-10-7-6-8-11-21)15-16-31(5,39)33(32)27(37)25(30(3,4)45-33)26(42-20(2)35)28(32)44-29(38)22-12-9-17-40-22/h6-14,17,23,25-28,37,39H,15-16,18H2,1-5H3/b14-13-/t23-,25+,26+,27?,28+,31-,32-,33+/m0/s1

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InChIKey

MLVFUJVXOZOGBN-PAZYIINWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MLVFUJVXOZOGBN-PAZYIINWSA-N

KNApSAcK ID

C00056216

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MLVFUJVXOZOGBN-PAZYIINWSA-N

(Q110076678)

[(1R,2S,5S,6S,7S,8R,9S)-8-acetyloxy-6-(acetyloxymethyl)-2,12-dihydroxy-2,10,10-trimethyl-5-[(Z)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-2-carboxylate

Statements

Identifiers

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