(Q105312847)

English

[(1S,2R,4S,5R,6R,7S,9R,12R)-5-acetyloxy-7-benzoyloxy-12-(furan-2-carbonyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] furan-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

eudesmane sesquiterpenoid

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mass

620.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₆O₁₁

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canonical SMILES

O=C(OC1CC(C)C23OC(C)(C)C(CC(OC(=O)C=4C=CC=CC4)C2(C)C1OC(=O)C)C3OC(=O)C=5OC=CC5)C=6OC=CC6

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isomeric SMILES

CC(=O)O[C@H]1[C@@H](OC(=O)c2ccco2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)c1ccco1

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found in taxon

Celastrus orbiculatus

1 reference

stated in

Sesquiterpene Esters fromCelastrus orbiculatusand Their Structure−Activity Relationship on the Modulation of Multidrug Resistance

Identifiers

InChI

InChI=1S/C34H36O11/c1-19-17-25(42-30(37)23-13-9-15-39-23)28(41-20(2)35)33(5)26(43-29(36)21-11-7-6-8-12-21)18-22-27(34(19,33)45-32(22,3)4)44-31(38)24-14-10-16-40-24/h6-16,19,22,25-28H,17-18H2,1-5H3/t19-,22-,25+,26+,27-,28+,33-,34-/m1/s1

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InChIKey

WTXHOBPQVWOYDA-LEOXFKOJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTXHOBPQVWOYDA-LEOXFKOJSA-N

1 reference

(Q105312847)

[(1S,2R,4S,5R,6R,7S,9R,12R)-5-acetyloxy-7-benzoyloxy-12-(furan-2-carbonyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] furan-2-carboxylate

Statements

Identifiers

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