Structure Database (LMSD)

Common Name
Peridinosterol
Systematic Name
4α,23R,24R-trimethyl-5α-cholest-17E(20)-en-3β-ol
Synonyms
LM ID
LMST01031046
Formula
C30H52O
Exact Mass
Calculate m/z
428.401815
Sum Composition
ST 30:1;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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Peridinium foliaceum (#2869)
Dinophyceae (#2864)
Marine Sterols,
Nat Prod Rep, 1991

String Representations

InChiKey (Click to copy)
KNPKKSRQOSDIJN-GUQADTFUSA-N
InChi (Click to copy)
InChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h18-19,21-23,25-28,31H,9-17H2,1-8H3/b24-20+/t19-,21-,22+,23+,25+,26+,27+,28+,29-,30+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)/C(=C(\C)/C[C@@H](C)[C@H](C)C(C)C)/CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])[C@H](C)[C@@H](O)C1

Other Databases

CHEBI ID
173007
PubChem CID
52931360

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 484.27
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.56
Molar Refractivity 133.28

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Updated at
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