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(3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol

PropertiesImage
MNX_IDMNXM115088 Image of MNXM115088
referencechebi:175430
formulaC30H50O
global charge0
mol weight426.729
InChIKeyPAIRQWYDVRILJI-DNTJNYDQSA-N
InChIInChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h8,19,21-26,31H,9-18H2,1-7H3/b20-8+
SMILESC/C(=C\CC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC45CC35CCC12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h8,19,21-26,31H,9-18H2,1-7H3/b20-8+/t21?,22?,23?,24?,25?,26?,27?,28?,29?,30? Image of MNXM115088
SMILES (mnx)[CH3:1][CH:19]([CH3:2])/[C:20]([CH3:3])=[CH:8]/[CH2:9][CH:21]([CH3:4])[CH:23]1[CH2:12][CH2:14][C:28]2([CH3:7])[CH:26]3[CH2:11][CH2:10][CH:24]4[CH:22]([CH3:5])[CH:25]([OH:31])[CH2:13][CH2:15][C:29]45[CH2:18][C:30]35[CH2:17][CH2:16][C:27]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:175430
chebi:175430
PAIRQWYDVRILJI-DNTJNYDQSA-N 		(3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol
15-[(E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
hmdb:HMDB0030674
PAIRQWYDVRILJI-DNTJNYDQSA-N 		(3beta,4alpha,5alpha,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol
(3b,4a,5a,23E)-4,14-Dimethyl-9,19-cycloergost-23-en-3-ol
(3beta,4alpha,5alpha,23E)-4,14-dimethyl-9,19-cycloergost-23-en-3-ol
15-[(4E)-5,6-dimethylhept-4-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol

hmdb:HMDB30674 		secondary/obsolete/fantasy identifier