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Cymbopogonol

PropertiesImage
MNX_IDMNXM124125 Image of MNXM124125
referencechebi:175462
formulaC30H50O
global charge0
mol weight426.729
InChIKeyQEDMSLJZGCZBIF-UHFFFAOYSA-N
InChIInChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19,21-25,31H,3,9-18H2,1-2,4-8H3
SMILESC=C1C(O)CCC2C1(C)CCC1C2(C)CCC2(C)C3C(C(C)C)CCC3(C)CCC12C
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19,21-25,31H,3,9-18H2,1-2,4-8H3/t21?,22?,23?,24?,25?,26?,27?,28?,29?,30? Image of MNXM124125
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH:21]1[CH2:11][CH2:13][C:26]2([CH3:4])[CH2:15][CH2:17][C:29]3([CH3:7])[CH:24]4[CH2:12][CH2:14][C:27]5([CH3:5])[C:20](=[CH2:3])[CH:22]([OH:31])[CH2:9][CH2:10][CH:23]5[C:28]4([CH3:6])[CH2:16][CH2:18][C:30]3([CH3:8])[CH:25]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:175462
chebi:175462
QEDMSLJZGCZBIF-UHFFFAOYSA-N 		Cymbopogonol
3a,5a,7a,11b,13a-pentamethyl-8-methylidene-1-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol
hmdb:HMDB0036904
QEDMSLJZGCZBIF-UHFFFAOYSA-N 		Cymbopogonol
2,5,10,13,19-pentamethyl-18-methylidene-8-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-ol
8-isopropyl-2,5,10,13,19-pentamethyl-18-methylidenepentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-ol
D:A-friedo-4(23)-lupen-3b-ol

hmdb:HMDB36904 		secondary/obsolete/fantasy identifier