Search MNXref
 Feedback

Conicasterol B

PropertiesImage
MNX_IDMNXM47587 Image of MNXM47587
referencechebi:187791
formulaC29H44O
global charge0
mol weight408.67
InChIKeyROFASVKEULJYHH-CIKAEWNBSA-N
InChIInChI=1S/C29H44O/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/h10,13-14,18-20,23-24,27,30H,5,8-9,11-12,15-17H2,1-4,6-7H3/t19-,20-,23-,24+,27+,28-,29+/m1/s1
SMILESC=C1[C@@H](O)CC[C@]2(C)C3=CC[C@@]4(C)C(=CC[C@@H]4[C@H](C)CC[C@@H](C)C(C)C)C3=CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C29H44O/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/h10,13-14,18-20,23-24,27,30H,5,8-9,11-12,15-17H2,1-4,6-7H3/t19-,20-,23-,24+,27+,28-,29+/m1/s1 Image of MNXM47587
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@H:19]([CH3:3])[CH2:8][CH2:9][C@@H:20]([CH3:4])[C@H:23]1[CH2:12][CH:13]=[C:25]2[C:22]3=[CH:10][CH2:11][C@H:24]4[C:21](=[CH2:5])[C@@H:27]([OH:30])[CH2:15][CH2:17][C@:29]4([CH3:7])[C:26]3=[CH: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:187791
chebi:187791
ROFASVKEULJYHH-CIKAEWNBSA-N 		Conicasterol B
(3S,5R,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-3-ol

lipidmaps:LMST01031085
lipidmapsM:LMST01031085
ROFASVKEULJYHH-CIKAEWNBSA-N 		Conicasterol B
4-methylene-24R-methylcholest-7,9(11),14-trien-3beta-ol
4-methylene-5alpha-campest-7,9(11),14-trien-3beta-ol
O
ST 29:4