3-Acetoxy-27-hydroxy-20(29)-lupen -28-oic acid methyl ester

CAS	263844-80-0
Structure
Synonyms	3α-Acetoxy-27-hydroxy-20(29)-lupen-28-oic acid methyl ester
IUPAC Name	Methyl (1R,3aS,5aS,5bR,7aR,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-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-carboxylate
Molecular Weight	529
Molecular Formula	C33H52O5
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)CO)C)(C)C)OC(=O)C)C)C(=O)OC
InChI	InChI=1S/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26?,27+,30-,31+,32-,33-/m0/s1
InChI Key	XQEGNJRCYISSOX-DBWROOMJSA-N
Purity	98%
Appearance	Solid