Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010121
Common Name7-dehydro-desmosterol
Systematic Namecholest-5,7,24-trien-3β-ol
Synonyms24-Dehydroprovitamin D3; 7,8-Didehydrodesmosterol
Exact Mass
382.3236 (neutral)    Calculate m/z:
FormulaC27H42O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID440558
KEGG IDC05107
HMDB IDHMDB0003896
CHEBI ID27910
SWISSLIPIDS IDSLM:000000461
InChIKeyRUSSPKPUXDSHNC-DDPQNLDTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,
4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,
24+,25+,26+,27-/m1/s1
SMILESC1[C@H](O)CC2=CC=C3[C@]4([H])CC[C@]([H])([C@]([H])(C)CC/C=C(\C)/C)[C@@]4(C)CC[C@
]3([H])[C@@]2(C)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
427.09Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.52Molar
Refractivity
119.52