(Q105368369)

English

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

chemical compound

In more languages

Statements

type of chemical entity

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eudesmane sesquiterpenoid

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500.204632604 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₉

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canonical SMILES

O=C(OC1CC2C(OC(=O)C=3OC=CC3)C4(OC2(C)C)C(C)CCC(OC(=O)C)C14C)C=5OC=CC5

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1

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Celastrus orbiculatus

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

Identifiers

InChI=1S/C27H32O9/c1-15-10-11-20(33-16(2)28)26(5)21(34-23(29)18-8-6-12-31-18)14-17-22(27(15,26)36-25(17,3)4)35-24(30)19-9-7-13-32-19/h6-9,12-13,15,17,20-22H,10-11,14H2,1-5H3/t15-,17-,20+,21+,22-,26+,27-/m1/s1

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YYBGZSCZDKPXGD-CLWMZTKQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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