3-Acetoxy-11-ursen-28,13-olide

Datasheet MSDS
Catalog Number
ANC05114
Product Name
3-Acetoxy-11-ursen-28,13-olide
Structure
3-Acetoxy-11-ursen-28,13-olide
CAS Number
35959-08-1
IUPAC Name
[(1S,4S,5R,8R,10S,13S,14R,17S,18R,19S,20R)-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl] acetate
Synonyms
3β-Acetyloxy-13-hydroxyurs-11-en-28-oicacidγ-lactone; O-Acetylursolicacidlactone; 3-Acetoxy-11-ursen-28,13-olide; 3beta-Acetoxyurs-11-en-28-oic13(28)-lactone
Molecular Formula
C32H48O4
Molecular Weight
496.7
Appearance
Cryst
Purity
>98%
SMILES
C[C@@H]1CC[C@]23CC[C@]4([C@@]5(CC[C@@H]6[C@@]([C@H]5C=C[C@@]4([C@@H]2[C@H]1C)OC3=O)(CC[C@@H](C6(C)C)OC(=O)C)C)C)C
InChI
InChI=1S/C32H48O4/c1-19-9-15-31-18-17-30(8)29(7)14-10-22-27(4,5)24(35-21(3)33)12-13-28(22,6)23(29)11-16-32(30,36-26(31)34)25(31)20(19)2/h11,16,19-20,22-25H,9-10,12-15,17-18H2,1-8H3/t19-,20+,22+,23-,24+,25-,28+,29-,30+,31+,32+/m1/s1
InChI Key
NCXOPROPMCEOMN-NOAGMNDJSA-N
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