(Q105201015)

English

[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-8-[(Z)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5,12-Diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-8-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

620.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-8-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

1 reference

based on heuristic

inferred from InChI

(1S)-1,4aalpha,10,10-Tetramethyl-4alpha,8beta-diacetoxy-5beta-(benzoyloxy)-6beta-(cinnamoyloxy)-8abeta,7beta-(epoxymethano)decahydronaphthalene-1beta-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₀O₁₀

0 references

canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(C)C(OC(=O)C)CCC(O)(C)C43OC(C)(C)C1C4OC(=O)C)C=CC=5C=CC=CC5

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isomeric SMILES

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

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found in taxon

Celastrus vulcanicola

1 reference

stated in

Restoration of Chemosensitivity in P-Glycoprotein-Dependent Multidrug-Resistant Cells by Dihydro-β-agarofuran Sesquiterpenes from Celastrus vulcanicola

Celastrus vulcanicolus

1 reference

stated in

Restoration of Chemosensitivity in P-Glycoprotein-Dependent Multidrug-Resistant Cells by Dihydro-β-agarofuran Sesquiterpenes from Celastrus vulcanicola

Identifiers

InChI

InChI=1S/C35H40O10/c1-21(36)41-25-19-20-33(5,40)35-29(42-22(2)37)27(32(3,4)45-35)28(43-26(38)18-17-23-13-9-7-10-14-23)30(34(25,35)6)44-31(39)24-15-11-8-12-16-24/h7-18,25,27-30,40H,19-20H2,1-6H3/b18-17-/t25-,27+,28-,29+,30-,33-,34-,35-/m0/s1

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InChIKey

OVQQPOHQLNLSCP-SHRFIZIPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OVQQPOHQLNLSCP-SHRFIZIPSA-N

1 reference

(Q105201015)

[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-8-[(Z)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

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