Structure database (LMSD)

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LM IDLMST01010331
Common Name-
Systematic Name4α,14α-dimethyl-5α-cholest-9(11)-en-3β-ol
Synonyms-
Exact Mass
414.3862 (neutral)    Calculate m/z:
FormulaC29H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
AbbrevST 29:1;O
PubChem CID52931341
InChIKeySZCKXGWHINUNKB-HFLFDJIOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h14,19-23,25-26,30H,8-13,15-18H2,1-7H3/t20-,21+,22-,23+,25?,26+,27+,28-,29+/m1/s1
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SMILES
C1[C@]2(C)C3=CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4(C)C3CC[C@@]2([H])[C@H](C)[C@@H](O)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
466.97Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.31Molar
Refractivity
128.73