Betulinicaldehyde

CAS	13159-28-9
Structure
Synonyms	3beta-Hydroxy-lup-20(30)-en-28-al
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-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]chrysene-3a-carbaldehyde
Molecular Weight	440.7
Molecular Formula	C30H48O2
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C=O
InChI	InChI=1S/C30H48O2/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/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChI Key	FELCJAPFJOPHSD-ROUWMTJPSA-N
Boiling Point	513.9±33.0 °C
Melting Point	183-187 °C
Purity	98%
Density	1.041 g/ml
Appearance	White powder