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18-acetoxy-1alpha-hydroxyvitamin D3

PropertiesImage
MNX_IDMNXM33744 Image of MNXM33744
referencechebi:73906
formulaC29H46O4
global charge0
mol weight458.683
InChIKeyPXVFRWYXTUOPCC-JORAJEIRSA-N
InChIInChI=1S/C29H46O4/c1-19(2)8-6-9-20(3)26-13-14-27-23(10-7-15-29(26,27)18-33-22(5)30)11-12-24-16-25(31)17-28(32)21(24)4/h11-12,19-20,25-28,31-32H,4,6-10,13-18H2,1-3,5H3/b23-11+,24-12-/t20-,25-,26-,27+,28+,29+/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(COC(C)=O)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C29H46O4/c1-19(2)8-6-9-20(3)26-13-14-27-23(10-7-15-29(26,27)18-33-22(5)30)11-12-24-16-25(31)17-28(32)21(24)4/h11-12,19-20,25-28,31-32H,4,6-10,13-18H2,1-3,5H3/b23-11+,24-12-/t20-,25-,26-,27+,28+,29+/m1/s1 Image of MNXM33744
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:8][CH2:6][CH2:9][C@@H:20]([CH3:3])[C@H:26]1[CH2:13][CH2:14][C@H:27]2/[C:23](=[CH:11]/[CH:12]=[C:24]3/[CH2:16][C@@H:25]([OH:31])[CH2:17][C@H:28]([OH:32])[C:21]3=[CH2:4])[CH2:10][CH2:7][CH2:15][C@:29]12[CH2:18][O:33][C:22]([CH3:5])=[O:30]
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:73906
chebi:73906
PXVFRWYXTUOPCC-JORAJEIRSA-N 		18-acetoxy-1alpha-hydroxyvitamin D3
(1S,3R,5Z,7E)-1,3-dihydroxy-9,10-secocholesta-5,7,10-trien-18-yl acetate
(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
18-acetoxy-1alpha-hydroxycholecalciferol

lipidmaps:LMST03020409
lipidmapsM:LMST03020409
PXVFRWYXTUOPCC-JORAJEIRSA-N 		18-acetoxy-1alpha-hydroxyvitamin D3
(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
18-acetoxy-1alpha-hydroxycholecalciferol