Dihydrobetulinic acid

(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

CAS: 25488-53-3

Molecular Formula	`C30H50O3`
Molecular Weight	458.7 g/mol
LogP	8.3
Topological Polar Surface Area	57.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	458.376
Heavy Atoms	33
Complexity	817.0

Chemical Identifiers

CAS Number	25488-53-3
SMILES	`CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O`
InChIKey	`PZXJOHSZQAEJFE-FZFNOLFKSA-N`

📖 Product Overview

Dihydrobetulinic acid (CAS: 25488-53-3) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.7 g/mol. Its IUPAC systematic name is (1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid. LogP 8.3 Topological Polar Surface Area 57.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 458.376 Heavy Atoms 33 Complexity 817.0 InChI Key: PZXJOHSZQAEJFE-FZFNOLFKSA-N. SMILES: CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O.

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