Structure Database (LMSD)

Systematic Name
24S,28R-methylene-stigmast-5-en-3β-ol
Synonyms
LM ID
LMST01050020
Status
Active
Exact Mass
Calculate m/z
426.386165
Formula
C30H50O
Abbrev
ST 30:2;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
C24-propyl sterols and derivatives [ST0105]

String Representations

InChiKey (Click to copy)
SBYOCAVAULFQMS-NNTQYPLXSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-19(2)30(18-21(30)4)16-11-20(3)25-9-10-26-24-8-7-22-17-23(31)12-14-28(22,5)27(24)13-15-29(25,26)6/h7,19-21,23-27,31H,8-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@]5(C[C@H]5C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Chrysophyceae (#114181)
Chrysophyceae (#2825)
Marine Sterols,
Nat Prod Rep, 1991

Other Databases

PubChem CID
14213689

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 471.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.31
Molar Refractivity 131.16

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Updated at
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