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(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrocholecalciferol

PropertiesImage
MNX_IDMNXM30439 Image of MNXM30439
referencechebi:168224
formulaC29H42O3
global charge0
mol weight438.652
InChIKeyUENVSUKLKMJWQW-IGELHMHJSA-N
InChIInChI=1S/C29H42O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h12-13,24,26-27,30-32H,4,6-7,9,11,14-19H2,1-3,5H3/b22-12+,23-13-,25-20-/t24-,26+,27+,28-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)/C(=C(/C)C#CCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C29H42O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h12-13,24,26-27,30-32H,4,6-7,9,11,14-19H2,1-3,5H3/b22-12+,23-13-,25-20-/t24-,26+,27+,28-/m1/s1 Image of MNXM30439
SMILES (mnx)[CH3:1][CH2:6][C:29]([CH2:7][CH3:2])([CH2:17][C:8]#[C:10]/[C:20]([CH3:3])=[C:25]1/[CH2:14][CH2:15][C@H:26]2/[C:22](=[CH:12]/[CH:13]=[C:23]3/[CH2:18][C@@H:24]([OH:30])[CH2:19][C@H:27]([OH:31])[C:21]3=[CH2:4])[CH2:11][CH2:9][CH2:16][C@:28]12[CH3:5])[OH:32]
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:168224
chebi:168224
UENVSUKLKMJWQW-IGELHMHJSA-N 		(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrocholecalciferol
(1R,3S,5Z)-5-[(2E)-2-[(1Z,3aS,7aS)-1-(6-ethyl-6-hydroxyoct-3-yn-2-ylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020391
lipidmapsM:LMST03020391
UENVSUKLKMJWQW-IGELHMHJSA-N 		(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrocholecalciferol
(5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol