3α-Acetoxy-20-oxo-29-norlupane-23,28-dioic acid

CAS	262272-76-4
Synonyms	(3alpha,4alpha)-3-(Acetyloxy)-20-oxo-30-norlupane-23,28-dioic acid
IUPAC Name	(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-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	530.69
Molecular Formula	C31H46O7
Canonical SMILES	CC(=O)[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/C31H46O7/c1-17(32)19-9-14-31(26(36)37)16-15-28(4)20(24(19)31)7-8-21-27(3)12-11-23(38-18(2)33)30(6,25(34)35)22(27)10-13-29(21,28)5/h19-24H,7-16H2,1-6H3,(H,34,35)(H,36,37)/t19-,20+,21+,22+,23+,24+,27+,28+,29+,30-,31-/m0/s1
InChI Key	HYMCMWIFWYXIRT-XGXSGSDFSA-N
Boiling Point	641.5±40.0 °C
Purity	98%
Density	1.22±0.1 g/ml
pKa	4.30±0.70
Appearance	Solid