Structure Database (LMSD)

Common Name
19-norcholestanol
Systematic Name
19-nor-5α-cholestan-3β-ol
Synonyms
LM ID
LMST01010291
Formula
C26H46O
Exact Mass
Calculate m/z
374.354865
Sum Composition
ST 26:0;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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Axinella polypoides (#12959)
Demospongiae (#6042)
Marine Sterols,
Nat Prod Rep, 1991

String Representations

InChiKey (Click to copy)
YPUSVPPKDFWEHB-PDCPANKYSA-N
InChi (Click to copy)
InChI=1S/C26H46O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h17-25,27H,5-16H2,1-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26-/m1/s1
SMILES (Click to copy)
[C@]12(CC[C@@]3([H])C[C@@H](O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]

Other Databases

PubChem CID
11462982

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 417.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.36
Molar Refractivity 114.97

Admin

Created at
-
Updated at
25th May 2021