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24Z-ethylidene-cholest-5-en-3beta,22S-diol

PropertiesImage
MNX_IDMNXM13511 Image of MNXM13511
referencechebi:173031
formulaC29H48O2
global charge0
mol weight428.701
InChIKeyIYBGBNAVLWUPQU-YFTYSLQTSA-N
InChIInChI=1S/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h7-8,18-19,22-27,30-31H,9-17H2,1-6H3/b20-7-/t19-,22-,23-,24+,25-,26-,27-,28-,29+/m0/s1
SMILESC/C=C(/C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h7-8,18-19,22-27,30-31H,9-17H2,1-6H3/b20-7-/t19-,22-,23-,24+,25-,26-,27-,28-,29+/m0/s1 Image of MNXM13511
SMILES (mnx)[CH3:1]/[CH:7]=[C:20](/[CH2:16][C@@H:27]([C@@H:19]([CH3:4])[C@H:24]1[CH2:10][CH2:11][C@H:25]2[C@@H:23]3[CH2:9][CH:8]=[C:21]4[CH2:17][C@@H:22]([OH:30])[CH2:12][CH2:14][C@:28]4([CH3:5])[C@H:26]3[CH2:13][CH2:15][C@:29]12[CH3:6])[OH:31])[CH:18]([CH3:2])[CH3:3]
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

CHEBI:173031
chebi:173031
IYBGBNAVLWUPQU-YFTYSLQTSA-N 		24Z-ethylidene-cholest-5-en-3beta,22S-diol
(3S,8S,9S,10R,13S,14S,17R)-17-[(Z,2S,3S)-3-hydroxy-5-propan-2-ylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

metacyc.compound:CPD-7191
metacycM:CPD-7191
IYBGBNAVLWUPQU-YFTYSLQTSA-N 		(22S)-22-hydroxy-isofucosterol
(22alpha)-hydroxy-isofucosterol

seed.compound:cpd24745
seedM:cpd24745
IYBGBNAVLWUPQU-YFTYSLQTSA-N 		(22alpha)-hydroxy-isofucosterol

lipidmaps:LMST01040196
lipidmapsM:LMST01040196
IYBGBNAVLWUPQU-YFTYSLQTSA-N 		22S-hydroxyisofucosterol
24Z-ethylidene-cholest-5-en-3beta,22S-diol
O2
ST 29:2

seedM:M_cpd24745 		secondary/obsolete/fantasy identifier