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(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct / (6RS)-22-oxo-23,24,25,26,27-pentanorcholecalciferol 6,19-sulfur dioxide adduct

PropertiesImage
MNX_IDMNXM31353 Image of MNXM31353
referencechebi:169586
formulaC22H32O4S
global charge0
mol weight392.561
InChIKeyQPAPCSSCGKZVEI-RMZXUFQGSA-N
InChIInChI=1S/C22H32O4S/c1-14(12-23)19-7-8-20-15(4-3-9-22(19,20)2)10-21-18-11-17(24)6-5-16(18)13-27(21,25)26/h10,12,14,17,19-21,24H,3-9,11,13H2,1-2H3/b15-10+/t14-,17+,19-,20+,21?,22-/m1/s1
SMILESC[C@H](C=O)[C@H]1CC[C@H]2/C(=C/C3C4=C(CC[C@H](O)C4)CS3(=O)=O)CCC[C@]12C
MNX internals
InChI (mnx)InChI=1/C22H32O4S/c1-14(12-23)19-7-8-20-15(4-3-9-22(19,20)2)10-21-18-11-17(24)6-5-16(18)13-27(21,25)26/h10,12,14,17,19-21,24H,3-9,11,13H2,1-2H3/b15-10+/t14-,17+,19-,20+,21?,22-/m1/s1 Image of MNXM31353
SMILES (mnx)[CH3:1][C@H:14]([CH:12]=[O:23])[C@H:19]1[CH2:7][CH2:8][C@H:20]2/[C:15](=[CH:10]/[CH:21]3[C:18]4=[C:16]([CH2:5][CH2:6][C@H:17]([OH:24])[CH2:11]4)[CH2:13][S:27]3(=[O:25])=[O:26])[CH2:4][CH2:3][CH2:9][C@:22]12[CH3:2]
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:169586
chebi:169586
QPAPCSSCGKZVEI-RMZXUFQGSA-N 		(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct / (6RS)-22-oxo-23,24,25,26,27-pentanorcholecalciferol 6,19-sulfur dioxide adduct
(2S)-2-[(1R,3aS,4E,7aR)-4-[[(6S)-6-hydroxy-2,2-dioxo-1,3,4,5,6,7-hexahydro-2-benzothiophen-1-yl]methylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal

lipidmaps:LMST03020008
lipidmapsM:LMST03020008
QPAPCSSCGKZVEI-RMZXUFQGSA-N 		(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct
(6RS)-22-oxo-23,24,25,26,27-pentanorcholecalciferol 6,19-sulfur dioxide adduct
(7E)-(3S,6RS)-3-hydroxy-6,19-epithio-23,24-dinor-9,10-seco-5(10),7-choladien-22-al S,S-dioxide