27-P-Coumaroyloxyursolic Acid

Catalog	BBC73584675
CAS	73584-67-5
Structure
Synonyms	Urs-12-en-28-oic acid, 3-hydroxy-27-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3β)-
IUPAC Name	(1S,2R,4aS,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular Weight	618.84
Molecular Formula	C39H54O6
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)COC(=O)/C=C/C6=CC=C(C=C6)O)C(=O)O
InChI	InChI=1S/C39H54O6/c1-24-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-26-7-10-27(40)11-8-26)28(33(38)25(24)2)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-12,14,24-25,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)/b14-9+/t24-,25+,29?,30-,31+,33+,36+,37-,38+,39+/m1/s1
InChI Key	RZHJGXXCTIXCRI-XKSDTODMSA-N
Purity	98%
Appearance	Solid