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1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol

PropertiesImage
MNX_IDMNXM32030 Image of MNXM32030
referencechebi:79531
formulaC20H30O2
global charge0
mol weight302.458
InChIKeyZSMYLYMVTJVQIR-UHFFFAOYSA-N
InChIInChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3
SMILESCC(C)C1=CC2=C(C=C1O)C1(C)CCCC(C)(CO)C1CC2
MNX internals
InChI (mnx)InChI=1/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3/t18?,19?,20? Image of MNXM32030
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[C:15]1=[C:17]([OH:22])[CH:11]=[C:16]2[C:14](=[CH:10]1)[CH2:6][CH2:7][CH:18]1[C:19]([CH3:3])([CH2:12][OH:21])[CH2:8][CH2:5][CH2:9][C:20]21[CH3:4]
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:79531
chebi:79531
kegg.compound:C15008
keggC:C15008
ZSMYLYMVTJVQIR-UHFFFAOYSA-N 		1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol

seed.compound:cpd10702
seedM:cpd10702
ZSMYLYMVTJVQIR-UHFFFAOYSA-N 		1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1- phenanthrenemethanol
1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol

keggC:M_C15008
seedM:M_cpd10702 		secondary/obsolete/fantasy identifier