Search MNXref
 Feedback

(23S,25R)-25-hydroxyvitamin D3 26,23-lactol / (23S,25R)-25-hydroxycholecalciferol 26,23-lactol

PropertiesImage
MNX_IDMNXM30705 Image of MNXM30705
referencechebi:178602
formulaC27H42O4
global charge0
mol weight430.629
InChIKeySFOPTSUKUQDFIB-NXRKUSIHSA-N
InChIInChI=1S/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-/t18-,21+,22+,23-,24+,25?,26-,27-/m1/s1
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)C[C@H]3C[C@@](C)(O)C(O)O3)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-/t18-,21+,22+,23-,24+,25?,26-,27-/m1/s1 Image of MNXM30705
SMILES (mnx)[CH2:1]=[C:17]1[CH2:7][CH2:10][C@H:21]([OH:28])[CH2:15]/[C:20]1=[CH:9]/[CH:8]=[C:19]1\[CH2:6][CH2:5][CH2:13][C@:26]2([CH3:3])[C@@H:23]([C@H:18]([CH3:2])[CH2:14][C@H:22]3[CH2:16][C@@:27]([CH3:4])([OH:30])[CH:25]([OH:29])[O:31]3)[CH2:11][CH2:12][C@@H:24]12
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:178602
chebi:178602
SFOPTSUKUQDFIB-NXRKUSIHSA-N 		(23S,25R)-25-hydroxyvitamin D3 26,23-lactol / (23S,25R)-25-hydroxycholecalciferol 26,23-lactol
(3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyloxolane-2,3-diol

lipidmaps:LMST03020188
lipidmapsM:LMST03020188
SFOPTSUKUQDFIB-NXRKUSIHSA-N 		(23S,25R)-25-hydroxyvitamin D3 26,23-lactol
(23S,25R)-25-hydroxycholecalciferol 26,23-lactol
(5Z,7E)-(3S,23S,25R)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactol