13-Acetyl-9-dihydrobaccatin-III
Product Code
TRC-A179128
CAS Number
Product Format
Neat
Molecular Formula
C33 H42 O12
Molecular Weight
630.68
API Family
PaclitaxelProduct Categories
Product Type
APIDocumentation
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Product Information
Chemical Data
Analyte Name
13-acetyl-9-dihydrobaccatin III
CAS Number
142203-65-4
Molecular Formula
C33 H42 O12
Molecular Weight
630.68
Accurate Mass
630.2676
SMILES
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]4[C@@](C)([C@@H](O)C[C@H]5OC[C@@]45OC(=O)C)[C@@H](O)[C@H](OC(=O)C)C(=C1C)C2(C)C
InChI
InChI=1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1
IUPAC
(2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol 6,9,12b-triacetate 12-benzoate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family