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(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)

PropertiesImage
MNX_IDMNXM115320 Image of MNXM115320
referencechebi:172320
formulaC26H40O6
global charge0
mol weight448.6
InChIKeyYTOWGNDHXAGFBR-SDNWHVSQSA-N
InChIInChI=1S/C26H40O6/c1-9-14(5)11-20(28)31-19-12-18(13(3)4)23-21(16(19)7)25(24(29)22(23)17(8)27)32-26(30)15(6)10-2/h11,13,15,17-19,21-23,25,27H,7,9-10,12H2,1-6,8H3/b14-11+
SMILESC=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2C(C(C)O)C(=O)C(OC(=O)C(C)CC)C12
MNX internals
InChI (mnx)InChI=1/C26H40O6/c1-9-14(5)11-20(28)31-19-12-18(13(3)4)23-21(16(19)7)25(24(29)22(23)17(8)27)32-26(30)15(6)10-2/h11,13,15,17-19,21-23,25,27H,7,9-10,12H2,1-6,8H3/b14-11+/t15?,17?,18?,19?,21?,22?,23?,25? Image of MNXM115320
SMILES (mnx)[CH3:1][CH2:9]/[C:14]([CH3:5])=[CH:11]/[C:20](=[O:28])[O:31][CH:19]1[CH2:12][CH:18]([CH:13]([CH3:3])[CH3:4])[CH:23]2[CH:21]([C:16]1=[CH2:7])[CH:25]([O:32][C:26]([CH:15]([CH3:6])[CH2:10][CH3:2])=[O:30])[C:24](=[O:29])[CH:22]2[CH:17]([CH3:8])[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172320
chebi:172320
YTOWGNDHXAGFBR-SDNWHVSQSA-N 		(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)
[1-(1-hydroxyethyl)-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
hmdb:HMDB0040993
YTOWGNDHXAGFBR-SDNWHVSQSA-N 		(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)
(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoic acid) 9-(3-methyl-2E-pentenoic acid)
1-(1-Hydroxyethyl)-3-[(2-methylbutanoyl)oxy]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoic acid
1-(1-hydroxyethyl)-3-[(2-methylbutanoyl)oxy]-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate
1-(1-hydroxyethyl)-7-isopropyl-3-[(2-methylbutanoyl)oxy]-4-methylidene-2-oxo-hexahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate

hmdb:HMDB40993 		secondary/obsolete/fantasy identifier