Betulin

CAS	473-98-3
Structure
Synonyms	Betula camphor
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Molecular Weight	442.72
Molecular Formula	C30H50O2
Canonical SMILES	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
InChI	InChI=1S/C30H50O2/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/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChI Key	FVWJYYTZTCVBKE-ROUWMTJPSA-N
Boiling Point	493.26 °C
Melting Point	256-257 °C(lit.)
Flash Point	210.9ºC
Purity	95%
Density	0.9882 g/cm³
Refractive Index	1.5045
pKa	15.10±0.10(Predicted)
Appearance	Solid