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cholestane

PropertiesImage
MNX_IDMNXM46552 Image of MNXM46552
referencechebi:35516
formulaC27H48
global charge0
mol weight372.681
InChIKeyXIIAYQZJNBULGD-LDHZKLTISA-N
InChIInChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1 Image of MNXM46552
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:9][CH2:8][CH2:10][C@@H:20]([CH3:3])[C@H:23]1[CH2:14][CH2:15][C@H:24]2[C@@H:22]3[CH2:13][CH2:12][CH:21]4[CH2:11][CH2:6][CH2:7][CH2:17][C@:26]4([CH3:4])[C@H:25]3[CH2:16][CH2:18][C@:27]12[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:35516
chebi:35516
XIIAYQZJNBULGD-LDHZKLTISA-N 		cholestane

seed.compound:cpd20909
seedM:cpd20909
kegg.compound:C19661
keggC:C19661
XIIAYQZJNBULGD-LDHZKLTISA-N 		Cholestane

keggC:M_C19661
seedM:M_cpd20909 		secondary/obsolete/fantasy identifier