Structure Database (LMSD)

Common Name
4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
Systematic Name
4,4-dimethyl-5α-cholest-7-en-3β-ol
Synonyms
  • 4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol
  • 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
LM ID
LMST01010207
Status
Active
Exact Mass
Calculate m/z
414.386165
Formula
C29H50O
Abbrev
ST 29:1;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
UVNXFLZMQCAWCP-RCTKLBHESA-N
InChi (Click to copy)
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24+,25+,26+,28-,29-/m1/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])C1=CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)O)[C@]([H])(C)CCCC(C)C

References

Other Databases

KEGG ID
C04530
CHEBI ID
16455
PubChem CID
5460076

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 8.31
Molar Refractivity 128.73

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Created at
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Updated at
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