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24-Acetyl- 25-cinnamoylvulgaroside

Properties

Image

Occurences in reactions

MNX_ID

MNXM117064

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₆H₄₈O₈

charge

mass

608.33492

reference

chebi:172772

InChIKey

IMXZIJOCFAKDPZ-OUKQBFOZSA-N

InChI

InChI=1S/C36H48O8/c1-23(37)42-22-36(41)19-15-28-34(4)17-9-16-33(2,3)27(34)14-18-35(28,5)29(36)21-26(38)25-20-31(40)44-32(25)43-30(39)13-12-24-10-7-6-8-11-24/h6-8,10-13,20,26-29,32,38,41H,9,14-19,21-22H2,1-5H3/b13-12+

SMILES

CC(=O)OCC1(O)CCC2C3(C)CCCC(C)(C)C3CCC2(C)C1CC(O)C1=CC(=O)OC1OC(=O)/C=C/c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172772 chebi:172772	24-Acetyl- 25-cinnamoylvulgaroside [3-[2-[2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-hydroxyethyl]-5-oxo-2H-uran-2-yl] (E)-3-phenylprop-2-enoate
hmdb:HMDB0041368	24-Acetyl- 25-cinnamoylvulgaroside 3-(2-{2-[(acetyloxy)methyl]-2-hydroxy-4b,8,8,10a-tetramethyl-decahydrophenanthren-1-yl}-1-hydroxyethyl)-5-oxo-2H-furan-2-yl (2E)-3-phenylprop-2-enoate 3-(2-{2-[(acetyloxy)methyl]-2-hydroxy-4b,8,8,10a-tetramethyl-tetradecahydrophenanthren-1-yl}-1-hydroxyethyl)-5-oxo-2,5-dihydrofuran-2-yl (2E)-3-phenylprop-2-enoate 3-(2-{2-[(acetyloxy)methyl]-2-hydroxy-4b,8,8,10a-tetramethyl-tetradecahydrophenanthren-1-yl}-1-hydroxyethyl)-5-oxo-2,5-dihydrofuran-2-yl (2E)-3-phenylprop-2-enoic acid
hmdb:HMDB41368	secondary/obsolete/fantasy identifier