72-23-1 Purity
95%
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The PubChem CID for Dihydrobetulin is 10527286.
The molecular formula of Dihydrobetulin is C30H52O2.
The synonyms for Dihydrobetulin are DIHYDROBETULIN, CHEMBL422042, SCHEMBL3780917, and BDBM50601893.
The molecular weight of Dihydrobetulin is 444.7 g/mol.
Dihydrobetulin was created on October 25, 2006.
Dihydrobetulin was last modified on November 25, 2023.
The IUPAC name of Dihydrobetulin is (1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol.
The InChI of Dihydrobetulin is InChI=1S/C30H52O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h19-25,31-32H,8-18H2,1-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1.
The InChIKey of Dihydrobetulin is JZZMDHQYBFQRMW-ROUWMTJPSA-N.
The Canonical SMILES of Dihydrobetulin is CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO.