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(17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin d3 / (17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol

PropertiesImage
MNX_IDMNXM30437 Image of MNXM30437
referencechebi:230750
formulaC31H46O3
global charge0
mol weight466.706
InChIKeyZHZPSISSWOOYJO-SQSVGMKISA-N
InChIInChI=1S/C31H46O3/c1-6-31(34,7-2)19-10-8-9-12-22(3)27-16-17-28-24(13-11-18-30(27,28)5)14-15-25-20-26(32)21-29(33)23(25)4/h14-15,26,28-29,32-34H,4,6-8,10-11,13,16-21H2,1-3,5H3/b24-14+,25-15-,27-22+/t26-,28+,29+,30-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)/C(=C(\C)C#CCCCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C31H46O3/c1-6-31(34,7-2)19-10-8-9-12-22(3)27-16-17-28-24(13-11-18-30(27,28)5)14-15-25-20-26(32)21-29(33)23(25)4/h14-15,26,28-29,32-34H,4,6-8,10-11,13,16-21H2,1-3,5H3/b24-14+,25-15-,27-22+/t26-,28+,29+,30-/m1/s1 Image of MNXM30437
SMILES (mnx)[CH3:1][CH2:6][C:31]([CH2:7][CH3:2])([CH2:19][CH2:10][CH2:8][C:9]#[C:12]/[C:22]([CH3:3])=[C:27]1\[CH2:16][CH2:17][C@H:28]2/[C:24](=[CH:14]/[CH:15]=[C:25]3/[CH2:20][C@@H:26]([OH:32])[CH2:21][C@H:29]([OH:33])[C:23]3=[CH2:4])[CH2:13][CH2:11][CH2:18][C@:30]12[CH3:5])[OH:34]
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:230750
chebi:230750
ZHZPSISSWOOYJO-SQSVGMKISA-N 		(17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin d3 / (17z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol
(1R,3S,5Z)-5-[(2E)-2-[(1E,3aS,7aS)-1-(8-ethyl-8-hydroxydec-3-yn-2-ylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

lipidmaps:LMST03020480
lipidmapsM:LMST03020480
ZHZPSISSWOOYJO-SQSVGMKISA-N 		(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomocholecalciferol
(5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol