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Simiarenol

PropertiesImage
MNX_IDMNXM30350 Image of MNXM30350
referencechebi:81371
formulaC30H50O
global charge0
mol weight426.729
InChIKeyXVXPXUMUGATHPD-JMJRLLIOSA-N
InChIInChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1
SMILESCC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1 Image of MNXM30350
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[C@H:20]1[CH2:9][CH2:12][C@@H:23]2[C@:27]1([CH3:5])[CH2:15][CH2:17][C@:30]1([CH3:8])[C@H:24]3[CH2:13][CH:10]=[C:21]4[C@@H:22]([CH2:11][CH2:14][C@H:25]([OH:31])[C:26]4([CH3:3])[CH3:4])[C@:28]3([CH3:6])[CH2:16][CH2:18][C@@:29]21[CH3:7]
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

seed.compound:cpd19349
seedM:cpd19349
CHEBI:81371
chebi:81371
kegg.compound:C17901
keggC:C17901
XVXPXUMUGATHPD-JMJRLLIOSA-N 		Simiarenol

lipidmaps:LMPR0106200005
lipidmapsM:LMPR0106200005
XVXPXUMUGATHPD-GHJITMOCSA-N 		(-)-Simiarenol
(-)-5-adianene-3beta-ol
hmdb:HMDB0302652
XVXPXUMUGATHPD-UHFFFAOYSA-N 		Simiarenol
2,5,10,13,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-19-en-17-ol
6-isopropyl-2,5,10,13,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-19-en-17-ol

keggC:M_C17901
seedM:M_cpd19349 		secondary/obsolete/fantasy identifier