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1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholecalciferol

PropertiesImage
MNX_IDMNXM33959 Image of MNXM33959
referencechebi:178544
formulaC28H46O4
global charge0
mol weight446.672
InChIKeyMJTTZPJXKAGWID-BANFDOQOSA-N
InChIInChI=1S/C28H46O4/c1-6-28(31,7-2)15-16-32-20(4)24-12-13-25-21(9-8-14-27(24,25)5)10-11-22-17-23(29)18-26(30)19(22)3/h10-11,20,23-26,29-31H,3,6-9,12-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26-,27+/m0/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H46O4/c1-6-28(31,7-2)15-16-32-20(4)24-12-13-25-21(9-8-14-27(24,25)5)10-11-22-17-23(29)18-26(30)19(22)3/h10-11,20,23-26,29-31H,3,6-9,12-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23+,24+,25-,26-,27+/m0/s1 Image of MNXM33959
SMILES (mnx)[CH3:1][CH2:6][C:28]([CH2:7][CH3:2])([CH2:15][CH2:16][O:32][C@@H:20]([CH3:4])[C@H:24]1[CH2:12][CH2:13][C@H:25]2/[C:21](=[CH:10]/[CH:11]=[C:22]3/[CH2:17][C@@H:23]([OH:29])[CH2:18][C@H:26]([OH:30])[C:19]3=[CH2:3])[CH2:9][CH2:8][CH2:14][C@:27]12[CH3:5])[OH:31]
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:178544
chebi:178544
MJTTZPJXKAGWID-BANFDOQOSA-N 		1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholecalciferol
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-ethyl-3-hydroxypentoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020383
lipidmapsM:LMST03020383
MJTTZPJXKAGWID-BANFDOQOSA-N 		1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D3
(5Z,7E)-(1S,3R)-26,27-dimethyl-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1alpha,25-dihydroxy-26,27-dimethyl-22-oxacholecalciferol