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Camelledionol

PropertiesImage
MNX_IDMNXM120103 Image of MNXM120103
referencechebi:175556
formulaC29H44O3
global charge0
mol weight440.668
InChIKeyMIXYQNXUKFPGRJ-UHFFFAOYSA-N
InChIInChI=1S/C29H44O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-21,32H,9-17H2,1-7H3
SMILESCC1(C)CCC2(O)C(=O)CC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C29H44O3/c1-24(2)14-15-29(32)19(16-24)18-8-9-21-26(5)12-11-22(30)25(3,4)20(26)10-13-27(21,6)28(18,7)17-23(29)31/h8,19-21,32H,9-17H2,1-7H3/t19?,20?,21?,26?,27?,28?,29? Image of MNXM120103
SMILES (mnx)[CH3:1][C:24]1([CH3:2])[CH2:14][CH2:15][C:29]2([OH:32])[CH:19]([CH2:16]1)[C:18]1=[CH:8][CH2:9][CH:21]3[C:26]4([CH3:5])[CH2:12][CH2:11][C:22](=[O:30])[C:25]([CH3:3])([CH3:4])[CH:20]4[CH2:10][CH2:13][C:27]3([CH3:6])[C:28]1([CH3:7])[CH2:17][C:23]2=[O:31]
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:175556
chebi:175556
MIXYQNXUKFPGRJ-UHFFFAOYSA-N
Camelledionol
8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,9,10,12,12a,14,14a-dodecahydropicene-3,8-dione
hmdb:HMDB0035730
MIXYQNXUKFPGRJ-UHFFFAOYSA-N
Camelledionol
17b-Hydroxy-28-nor-3,16-oleanenedione
8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,8-dione
8a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,4a,5,6,7,9,10,12,12a,14,14a-dodecahydropicene-3,8-dione

hmdb:HMDB35730
secondary/obsolete/fantasy identifier