Tormentic acid

(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-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: 13850-16-3

Molecular Formula	`C30H48O5`
Molecular Weight	488.7 g/mol
LogP	5.0
Topological Polar Surface Area	98.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	488.3502
Heavy Atoms	35
Complexity	956.0

Chemical Identifiers

CAS Number	13850-16-3
SMILES	`CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O`
InChIKey	`OXVUXGFZHDKYLS-BLIWDXROSA-N`

📖 Product Overview

Tormentic acid (CAS: 13850-16-3) is a chemical compound with molecular formula C30H48O5 and molecular weight 488.7 g/mol. Its IUPAC systematic name is (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-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. LogP 5.0 Topological Polar Surface Area 98.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 488.3502 Heavy Atoms 35 Complexity 956.0 InChI Key: OXVUXGFZHDKYLS-BLIWDXROSA-N. SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1(C)O)C)C(=O)O.

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