Description
Zamanic acid is a natural plant triterpenoid isolated from the herbs of Plumeria obtusa.
Synonyms
(3β)-3-Hydroxy-30-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}urs- 12-en-28-oic acid
IUPAC Name
(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,6a,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
Molecular Formula
C39H54O6
Canonical SMILES
CC1C(CCC2(C1C3=CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O)COC(=O)C=CC6=CC=C(C=C6)O
InChI
InChI=1S/C39H54O6/c1-24-26(23-45-32(42)14-9-25-7-10-27(40)11-8-25)15-20-39(34(43)44)22-21-37(5)28(33(24)39)12-13-30-36(4)18-17-31(41)35(2,3)29(36)16-19-38(30,37)6/h7-12,14,24,26,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)/b14-9+/t24-,26-,29-,30+,31-,33-,36-,37+,38+,39-/m0/s1
InChIKey
KZEFHUMSFIGJBU-BFDBMYDBSA-N