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20S,23-dihydroxycholecalciferol

PropertiesImage
MNX_IDMNXM162626 Image of MNXM162626
referencechebi:91306
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyPFGAVEWICNHWDW-OZCLJXQISA-N
InChIInChI=1S/C27H44O3/c1-18(2)15-23(29)17-27(5,30)25-13-12-24-20(7-6-14-26(24,25)4)9-10-21-16-22(28)11-8-19(21)3/h9-10,18,22-25,28-30H,3,6-8,11-17H2,1-2,4-5H3/b20-9+,21-10-/t22-,23?,24-,25-,26-,27-/m0/s1
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)CC(O)CC(C)C
MNX internals
InChI (mnx)InChI=1/C27H44O3/c1-18(2)15-23(29)17-27(5,30)25-13-12-24-20(7-6-14-26(24,25)4)9-10-21-16-22(28)11-8-19(21)3/h9-10,18,22-25,28-30H,3,6-8,11-17H2,1-2,4-5H3/b20-9+,21-10-/t22-,23?,24-,25-,26-,27-/m0/s1 Image of MNXM162626
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[CH2:15][CH:23]([CH2:17][C@@:27]([CH3:5])([C@H:25]1[CH2:13][CH2:12][C@H:24]2/[C:20](=[CH:9]/[CH:10]=[C:21]3/[CH2:16][C@@H:22]([OH:28])[CH2:11][CH2:8][C:19]3=[CH2:3])[CH2:7][CH2:6][CH2:14][C@@:26]21[CH3:4])[OH:30])[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:91306
chebi:91306
PFGAVEWICNHWDW-OZCLJXQISA-N
20S,23-dihydroxycholecalciferol
(20S,23)-dihydroxyvitamin D3
(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,23-triol
20S,23(OH)2D3
20S,23-dihydroxyvitamin D3

SLM:000501248
slm:000501248
PFGAVEWICNHWDW-OZCLJXQISA-N
20S,23-dihydroxycholecalciferol