3α-Acetoxy-20(29)-lupene-23,28-dioic acid

Catalog	BBC83725411
CAS	83725-41-1
Synonyms	Lup-20(29)-ene-23,28-dioic acid, 3-(acetyloxy)-, (3α,4α)-
IUPAC Name	(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,11a-tetramethyl-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,8-dicarboxylic acid
Molecular Weight	528.73
Molecular Formula	C32H48O6
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)O)OC(=O)C)C)C(=O)O
InChI	InChI=1S/C32H48O6/c1-18(2)20-10-15-32(27(36)37)17-16-29(5)21(25(20)32)8-9-22-28(4)13-12-24(38-19(3)33)31(7,26(34)35)23(28)11-14-30(22,29)6/h20-25H,1,8-17H2,2-7H3,(H,34,35)(H,36,37)/t20-,21+,22+,23+,24+,25+,28+,29+,30+,31-,32-/m0/s1
InChI Key	JVQNCWJJEYAODC-ZESURFQCSA-N
Boiling Point	622.6±40.0 °C
Purity	98%
Density	1.17±0.1 g/ml
Appearance	Solid
pKa	4.31±0.70