Gardenolic acid B

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6411

CAS

108864-53-5

Product Name

Gardenolic acid B

Structure

Product Details

Description

Gardenolic acid B is a natural compound isolated from the flowers of Gardenia jasminoides ellis.

Synonyms

Gardenolic acid B; 108864-53-5; (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid; CHEMBL558118; AKOS032962759

IUPAC Name

(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Molecular Weight

486.693

Molecular Formula

C30H46O5

Canonical SMILES

CC(CC(=O)C=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C

InChI

InChI=1S/C30H46O5/c1-17(2)13-19(31)14-18(3)20-9-10-27(5)21-7-8-22-28(6,25(34)35)23(32)15-24(33)30(22)16-29(21,30)12-11-26(20,27)4/h13,18,20-24,32-33H,7-12,14-16H2,1-6H3,(H,34,35)/t18-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1

InChIKey

TTYDGCKGPQOMOK-SESPQYOESA-N

Purity

95.0%

Appearance

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