2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid

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

CAS: 53155-25-2

Molecular Formula	`C30H48O5`
Molecular Weight	488.3502 g/mol
LogP	5.18
Topological Polar Surface Area	97.99 Å²
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	488.3502
Heavy Atoms	35
Complexity	952.4

Chemical Identifiers

CAS Number	53155-25-2
SMILES	`C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)[C@H]2[C@]1(C)O)C)C(=O)O`

Product Overview

2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid (CAS 53155-25-2), with molecular formula C30H48O5 and molecular weight 488.3502 g/mol. IUPAC: (1R,2R,4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.

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