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27-p-Coumaroyloxyursolic acid

Catalog Number
ANC05132

Product Name
27-p-Coumaroyloxyursolic acid

Structure

CAS Number
73584-67-5

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

Synonyms
27-p-Coumaroyloxyursolicacid

Molecular Formula
C39H54O6

Molecular Weight
618.9

Appearance
Powder

Purity
>97%

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

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