9-Deacetyl-9-benzoyl-10-debenzoyl-4β,20-epoxytaxchinin A

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For Research Use Only.

Category

Terpenes

Cat.No.

NP1649

CAS

227011-48-5

Product Name

9-Deacetyl-9-benzoyl-10-debenzoyl-4β,20-epoxytaxchinin A

Structure

Product Details

Description

9-Deacetyl-9-benzoyl-10-debenzoyl-4β,20-epoxytaxchinin A is extracted from the stem barks of Taxus baccata L. cv. stricta.

Synonyms

2Alpha,7beta-Diacetoxy-9alpha-benzoyloxy-5alpha,10beta,13alpha,15-tetrahydroxy-4beta(20)-epoxy-11(15-1)abeotax-11-ene

IUPAC Name

[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-6,10-diacetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-5-yl] benzoate

Molecular Weight

588.64

Molecular Formula

C31H40O11

Canonical SMILES

CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1O)C(C)(C)O)OC(=O)C)CO4)O)OC(=O)C)C)OC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(36)25(42-27(37)18-10-8-7-9-11-18)29(6)21(40-16(2)32)12-20(35)31(14-39-31)24(29)26(30)41-17(3)33/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21-,23+,24-,25-,26-,29+,30-,31+/m0/s1

InChIKey

VXDWKDPOYAZLDR-TWEGWBIASA-N

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