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Mangiferdesmethylursanone

PropertiesImage
MNX_IDMNXM127673 Image of MNXM127673
referencechebi:190150
formulaC29H48O2
global charge0
mol weight428.701
InChIKeyKUBDEHGZXKPATK-UHFFFAOYSA-N
InChIInChI=1S/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3
SMILESCC1C(O)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12
MNX internals
InChI (mnx)InChI=1/C29H48O2/c1-18-20(30)10-13-26(4)16-17-28(6)19(24(18)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h18-22,24,30H,8-17H2,1-7H3/t18?,19?,20?,21?,22?,24?,26?,27?,28?,29? Image of MNXM127673
SMILES (mnx)[CH3:1][CH:18]1[CH:20]([OH:30])[CH2:10][CH2:13][C:26]2([CH3:4])[CH2:16][CH2:17][C:28]3([CH3:6])[CH:19]([CH2:8][CH2:9][CH:22]4[C:27]5([CH3:5])[CH2:14][CH2:12][C:23](=[O:31])[C:25]([CH3:2])([CH3:3])[CH:21]5[CH2:11][CH2:15][C:29]43[CH3:7])[CH:24]12
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:190150
chebi:190150
KUBDEHGZXKPATK-UHFFFAOYSA-N 		Mangiferdesmethylursanone
11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-1,2,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a-hexadecahydropicen-3-one
hmdb:HMDB0036018
KUBDEHGZXKPATK-UHFFFAOYSA-N 		Mangiferdesmethylursanone
11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-docosahydropicen-3-one
11-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-hexadecahydropicen-3-one

hmdb:HMDB36018 		secondary/obsolete/fantasy identifier