3-Epioleanolic Acid

CAS

25499-90-5

Catalog Number

ACM25499905

Category

Other Products

Molecular Weight

456.7

Molecular Formula

C30H48O3

MSDS COA Spec Sheet

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Specification

Synonyms

(3α)- 3-Hydroxy- olean-12-en-28-oic acid

IUPAC Name

(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Canonical SMILES

C[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O

InChI

InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,27-,28+,29+,30-/m0/s1

InChI Key

MIJYXULNPSFWEK-KDQGZELNSA-N

Boiling Point

553.5±50.0 °C

Melting Point

297-299 °C

Density

1.10±0.1 g/ml

Appearance

Solid