Search MNXref
 Feedback

nimbin

PropertiesImage
MNX_IDMNXM107258 Image of MNXM107258
referencechebi:67304
formulaC30H36O9
global charge0
mol weight540.609
InChIKeyNHOIBRJOQAYBJT-IMGVWCFESA-N
InChIInChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
SMILESCOC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=COC=C4)C[C@H]3O[C@@H]2[C@H](OC(C)=O)[C@@H]2[C@]1(C)C(=O)C=C[C@@]2(C)C(=O)OC
MNX internals
InChI (mnx)InChI=1/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1 Image of MNXM107258
SMILES (mnx)[CH3:1][C:15]1=[C:23]2[C@@H:19]([CH2:12][C@H:18]1[C:17]1=[CH:14][O:37][CH:11]=[CH:9]1)[O:39][C@@H:26]1[C@H:24]([O:38][C:16]([CH3:2])=[O:31])[C@H:25]3[C@:28]([CH3:3])([C:27](=[O:34])[O:36][CH3:7])[CH:10]=[CH:8][C:21](=[O:32])[C@:29]3([CH3:4])[C@@H:20]([CH2:13][C:22](=[O:33])[O:35][CH3:6])[C@:30]21[CH3:5]
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:67304
chebi:67304
NHOIBRJOQAYBJT-IMGVWCFESA-N 		nimbin
(4alpha,5alpha,6alpha,7alpha,15beta,17alpha)-6-(acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo-8,24-dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid methyl ester
methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-5-(acetyloxy)-2-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carboxylate