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31-norcycloartenol

MNXM10243 is deprecated and here replaced by MNXM1370922
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370922 Image of MNXM1370922
referencemetacycM:CPD-12850
formulaC29H48O
global charge0
mol weight412.702
InChIKeyXZEUYTKSAYNYPK-WXPWFURYSA-N
InChIInChI=1S/C29H48O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h8,20-25,30H,7,9-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,29+/m1/s1
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C29H48O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h8,20-25,30H,7,9-18H2,1-6H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,29+/m1/s1 Image of MNXM1370922
SMILES (mnx)[CH3:1][C:19]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:22]1[CH2:12][CH2:14][C@@:27]2([CH3:6])[C@@H:25]3[CH2:11][CH2:10][C@H:23]4[C@H:21]([CH3:4])[C@@H:24]([OH:30])[CH2:13][CH2:15][C@@:28]45[CH2:18][C@@:29]35[CH2:17][CH2:16][C@:26]12[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12850
metacycM:CPD-12850
XZEUYTKSAYNYPK-WXPWFURYSA-N 		31-norcycloartenol
(3beta,9beta)-4beta-demethyl-9,19-cyclolanost-24-en-3-ol
4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

seed.compound:cpd23610
seedM:cpd23610
XZEUYTKSAYNYPK-WXPWFURYSA-N 		31-norcycloartenol
4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol

seedM:M_cpd23610 		secondary/obsolete/fantasy identifier