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(3beta,4alpha,5alpha,23E)-4-Methylergosta-7,23-dien-3-ol

PropertiesImage
MNX_IDMNXM115090 Image of MNXM115090
referencechebi:191992
formulaC29H48O
global charge0
mol weight412.702
InChIKeyCTWRZEHGRSDRPG-UFWORHAWSA-N
InChIInChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h8,10,18,20-21,23-27,30H,9,11-17H2,1-7H3/b19-8+
SMILESC/C(=C\CC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC21C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h8,10,18,20-21,23-27,30H,9,11-17H2,1-7H3/b19-8+/t20?,21?,23?,24?,25?,26?,27?,28?,29? Image of MNXM115090
SMILES (mnx)[CH3:1][CH:18]([CH3:2])/[C:19]([CH3:3])=[CH:8]/[CH2:9][CH:20]([CH3:4])[CH:23]1[CH2:12][CH2:13][CH:25]2[C:22]3=[CH:10][CH2:11][CH:24]4[CH:21]([CH3:5])[CH:27]([OH:30])[CH2:15][CH2:17][C:29]4([CH3:7])[CH:26]3[CH2:14][CH2:16][C:28]12[CH3:6]
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:191992
chebi:191992
CTWRZEHGRSDRPG-UFWORHAWSA-N 		(3beta,4alpha,5alpha,23E)-4-Methylergosta-7,23-dien-3-ol
17-[(E)-5,6-dimethylhept-4-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
hmdb:HMDB0033869
CTWRZEHGRSDRPG-UFWORHAWSA-N 		(3beta,4alpha,5alpha,23E)-4-Methylergosta-7,23-dien-3-ol
(3b,4a,5a,23E)-4-Methylergosta-7,23-dien-3-ol
(3beta,4alpha,5alpha,23E)-4-methylergosta-7,23-dien-3-ol
14-[(4E)-5,6-dimethylhept-4-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol
b-O-Methylsynephrine
b-O-Methylynephrine
beta-O-methylynephrine

hmdb:HMDB33869 		secondary/obsolete/fantasy identifier