3-O-Caffeoyloleanolic acid

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6612

CAS

97534-10-6

Product Name

3-O-Caffeoyloleanolic acid

Structure

Product Details

Description

3-O-Caffeoyloleanolic acid isolated from the stem bark of Physocarpus intermedius.

Synonyms

Oleanolic acid 3-O-caffeate;Oleanolic acid caffeate

IUPAC Name

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Molecular Weight

618.9

Molecular Formula

C39H54O6

Canonical SMILES

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C

InChI

InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26-,29-,30+,31-,36-,37+,38+,39-/m0/s1

InChIKey

OJEUMHQEAMVIBI-SBXAJAQGSA-N

Purity

0.98

Appearance

Powder

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