Structure Database (LMSD)

Common Name
4,4-dimethylcholesta-8,14-dienol
Systematic Name
4,4-dimethyl-5α-cholesta-8,14-dien-3β-ol
Synonyms
  • Dihydro FF-MAS
  • dihydro-Follicular fluid meiosis-activating sterol
LM ID
LMST01010277
Formula
C29H48O
Exact Mass
Calculate m/z
412.370515
Sum Composition
ST 29:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
OGQJUYXFIOFTMA-PBJLWWPKSA-N
InChi (Click to copy)
InChI=1S/C29H48O/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/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1
SMILES (Click to copy)
C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC=C21

Other Databases

HMDB ID
HMDB0062381
CHEBI ID
78904
PubChem CID
167817
SwissLipids ID
SLM:000399860

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 464.33
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.38
Molar Refractivity 128.77

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Created at
-
Updated at
25th Nov 2022