Bryonolic acid

Datasheet MSDS
Catalog Number
ANC05119
Product Name
Bryonolic acid
Structure
Bryonolic acid
CAS Number
24480-45-3
IUPAC Name
(2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
Synonyms
(20R)-3β-Hydroxy-D:C-friedoolean-8-en-29-oicacid; 3beta-Hydroxy-D-C-friedoolean-8-en-29-oicacid
Molecular Formula
C30H48O3
Molecular Weight
456.7
Appearance
Powder
Purity
98%
SMILES
C[C@]12CC[C@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C(=O)O
InChI
InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1
InChI Key
BHVJSLPLFOAMEV-UHIFYLTQSA-N
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