13-O-Cinnamoylbaccatin III

Inquiry

For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1473

CAS

220932-65-0

Product Name

13-O-Cinnamoylbaccatin III

Structure

Product Details

Description

13-O-Cinnamoylbaccatin III is extracted from the barks of Taxus yunnanensis.

Synonyms

Taxuspinanane J

IUPAC Name

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-[(E)-3-phenylprop-2-enoyl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Molecular Weight

716.78

Molecular Formula

C40H44O12

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C=CC5=CC=CC=C5)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C

InChI

InChI=1S/C40H44O12/c1-22-27(50-30(44)18-17-25-13-9-7-10-14-25)20-40(47)35(51-36(46)26-15-11-8-12-16-26)33-38(6,28(43)19-29-39(33,21-48-29)52-24(3)42)34(45)32(49-23(2)41)31(22)37(40,4)5/h7-18,27-29,32-33,35,43,47H,19-21H2,1-6H3/b18-17+/t27-,28-,29+,32+,33-,35-,38+,39-,40+/m0/s1

InChIKey

PPZXDJGRIUOJEB-ODILUHENSA-N

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