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(24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24R,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol

PropertiesImage
MNX_IDMNXM30735 Image of MNXM30735
referencechebi:178598
formulaC27H42O4
global charge0
mol weight430.629
InChIKeyFMKUQGFLXWBDRU-GYKRDULBSA-N
InChIInChI=1S/C27H42O4/c1-17(7-12-25(30)27(4)16-31-27)22-10-11-23-19(6-5-13-26(22,23)3)8-9-20-14-21(28)15-24(29)18(20)2/h8-9,17,21-25,28-30H,2,5-7,10-16H2,1,3-4H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,25-,26-,27+/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)[C@]4(C)CO4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C27H42O4/c1-17(7-12-25(30)27(4)16-31-27)22-10-11-23-19(6-5-13-26(22,23)3)8-9-20-14-21(28)15-24(29)18(20)2/h8-9,17,21-25,28-30H,2,5-7,10-16H2,1,3-4H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,25-,26-,27+/m1/s1 Image of MNXM30735
SMILES (mnx)[CH3:1][C@H:17]([CH2:7][CH2:12][C@H:25]([C@:27]1([CH3:4])[CH2:16][O:31]1)[OH:30])[C@H:22]1[CH2:10][CH2:11][C@H:23]2/[C:19](=[CH:8]/[CH:9]=[C:20]3/[CH2:14][C@@H:21]([OH:28])[CH2:15][C@H:24]([OH:29])[C:18]3=[CH2:2])[CH2:6][CH2:5][CH2:13][C@:26]12[CH3:3]
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:178598
chebi:178598
FMKUQGFLXWBDRU-GYKRDULBSA-N 		(24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 / (24R,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-5-[(2S)-2-methyloxiran-2-yl]pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020182
lipidmapsM:LMST03020182
FMKUQGFLXWBDRU-GYKRDULBSA-N 		(24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3
(24R,25S)-25,26-epoxy-1alpha,24-dihydroxycholecalciferol
(5Z,7E)-(1S,3R,24R,25S)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol