3,4-Dihydroxybenzoyllupeol

CAS	2231323-99-0
Synonyms	3-O-(4'5'-Dihydroxybenzoyl)lup-20(29)-en
IUPAC Name	[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-yl] 3,4-dihydroxybenzoate
Molecular Weight	562.84
Molecular Formula	C37H54O4
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)OC(=O)C6=CC(=C(C=C6)O)O)C)C
InChI	InChI=1S/C37H54O4/c1-22(2)24-13-16-34(5)19-20-36(7)25(31(24)34)10-12-29-35(6)17-15-30(33(3,4)28(35)14-18-37(29,36)8)41-32(40)23-9-11-26(38)27(39)21-23/h9,11,21,24-25,28-31,38-39H,1,10,12-20H2,2-8H3/t24-,25+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1
InChI Key	RLNHEXTWRDXJRW-CAFGHCHISA-N
Boiling Point	638.5±35.0 °C
Purity	98%
Density	1.13±0.1 g/ml
Appearance	Solid