Cimigenol-3-one

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For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7165

CAS

31222-32-9

Product Name

Cimigenol-3-one

Structure

Product Details

Description

Cimigenol-3-one is a natural compound isolated from the rhizomes of Cimicifuga dahurica.

Synonyms

Cimigenol-3-one; 31222-32-9; (1S,2R,3S,4R,7R,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-one

IUPAC Name

(1S,2R,3S,4R,7R,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-one

Molecular Weight

486.693

Molecular Formula

C30H46O5

Canonical SMILES

CC1CC2C(OC3(C1C4(CCC56CC57CCC(=O)C(C7CCC6C4(C3O)C)(C)C)C)O2)C(C)(C)O

InChI

InChI=1S/C30H46O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-19,21-23,32-33H,8-15H2,1-7H3/t16-,17-,18+,19+,21-,22+,23-,26-,27-,28-,29+,30+/m1/s1

InChIKey

JFTOWADKDXNJHZ-OTEZEVKPSA-N

Purity

98.5%

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