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(25R)-1alpha,25,26-trihydroxy-22-oxavitamin D3

PropertiesImage
MNX_IDMNXM30765 Image of MNXM30765
referencelipidmapsM:LMST03020067
formulaC26H42O5
global charge0
mol weight434.617
InChIKeyHXCKVZWOCQWXIV-JTNSFANSSA-N
InChIInChI=1S/C26H42O5/c1-17-20(14-21(28)15-24(17)29)8-7-19-6-5-11-26(4)22(9-10-23(19)26)18(2)31-13-12-25(3,30)16-27/h7-8,18,21-24,27-30H,1,5-6,9-16H2,2-4H3/b19-7+,20-8-/t18-,21+,22+,23-,24-,25+,26+/m0/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCC[C@@](C)(O)CO)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C26H42O5/c1-17-20(14-21(28)15-24(17)29)8-7-19-6-5-11-26(4)22(9-10-23(19)26)18(2)31-13-12-25(3,30)16-27/h7-8,18,21-24,27-30H,1,5-6,9-16H2,2-4H3/b19-7+,20-8-/t18-,21+,22+,23-,24-,25+,26+/m0/s1 Image of MNXM30765
SMILES (mnx)[CH2:1]=[C:17]1/[C:20](=[CH:8]\[CH:7]=[C:19]2/[CH2:6][CH2:5][CH2:11][C@:26]3([CH3:4])[C@@H:22]([C@H:18]([CH3:2])[O:31][CH2:13][CH2:12][C@:25]([CH3:3])([CH2:16][OH:27])[OH:30])[CH2:9][CH2:10][C@@H:23]23)[CH2:14][C@@H:21]([OH:28])[CH2:15][C@@H:24]1[OH:29]
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

lipidmaps:LMST03020067
lipidmapsM:LMST03020067
HXCKVZWOCQWXIV-JTNSFANSSA-N 		(25R)-1alpha,25,26-trihydroxy-22-oxavitamin D3
(25R)-1alpha,25,26-trihydroxy-22-oxacholecalciferol
(5Z,7E)-(1S,3R,25R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25,26-tetrol