Structure Database (LMSD)

Systematic Name
4,24-Dimethylcholest-24-en-3β-ol
Synonyms
LM ID
LMST01030139
Formula
C29H50O
Exact Mass
Calculate m/z
414.386165
Sum Composition
ST 29:1;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
BTBRBCIRTOKWDH-XIAGWISRSA-N
InChi (Click to copy)
InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-27,30H,3,8-17H2,1-2,4-7H3/t20?,21?,22?,23-,24?,25?,26?,27+,28-,29+/m1/s1
SMILES (Click to copy)
C1C[C@@]2(C3CC[C@@]4([C@H](CCC4C3CCC2C(C)[C@H]1O)C(C)CCC(=C)C(C)C)C)C

Other Databases

PubChem CID
42608403

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 466.97
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.17
Molar Refractivity 128.66

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Created at
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Updated at
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