(Q104955771)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

568.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆O₁₀

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canonical SMILES

O=C(OC1C2CC(OC(=O)C=3C=CC=CC3)C4(C)C(OC(=O)C)C(OC(=O)C)CC(C)C14OC2(C)C)C=5OC=CC5

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[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/C31H36O10/c1-17-15-23(37-18(2)32)26(38-19(3)33)30(6)24(39-27(34)20-11-8-7-9-12-20)16-21-25(31(17,30)41-29(21,4)5)40-28(35)22-13-10-14-36-22/h7-14,17,21,23-26H,15-16H2,1-6H3/t17-,21-,23+,24+,25-,26+,30-,31-/m1/s1

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InChIKey

CEKCSANPFZSVKO-ICWAWGCGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEKCSANPFZSVKO-ICWAWGCGSA-N

1 reference

(Q104955771)

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

Statements

Identifiers

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