Rotundanonic acid

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For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7238

CAS

173357-19-2

Product Name

Rotundanonic acid

Structure

Product Details

Description

Rotundanonic acid is a natural compound isolated from the herbs of Ilex Rotunda.

Synonyms

3-Oxo-19,23-dihydroxyurs-12-ene-28-oic acid

IUPAC Name

(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-1-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid

Molecular Weight

486.693

Molecular Formula

C30H46O5

Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)CO)C)C)C2C1(C)O)C)C(=O)O

InChI

InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-21,23,31,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,23-,25+,26+,27-,28-,29-,30+/m1/s1

InChIKey

DICFMPCEXYENLE-IZQMNYJJSA-N

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