12α-Hydroxygrandiflorenic acid

Datasheet MSDS
Catalog Number
ANC01343
Product Name
12α-Hydroxygrandiflorenic acid
Structure
12α-Hydroxygrandiflorenic acid
CAS Number
63768-17-2
IUPAC Name
(1S,4S,5R,9R,12S,13R)-12-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Synonyms
12alpha-Hydroxykaura-9(11),16-dien-18-oicacid; 12alpha-Hydroxygrandiflorenicacid
Molecular Formula
C20H28O3
Molecular Weight
316.4
Appearance
Powder
Purity
>97%
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34C2=C[C@@H]([C@H](C3)C(=C)C4)O)(C)C(=O)O
InChI
InChI=1S/C20H28O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)9-14(21)13(12)11-20/h9,13-15,21H,1,4-8,10-11H2,2-3H3,(H,22,23)/t13-,14+,15+,18-,19-,20-/m1/s1
InChI Key
YKLRBAUBANVECM-SUIOEDAWSA-N
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