Structure Database (LMSD)

Common Name
Viperidone
Systematic Name
3β,9α-dihydroxy-5α-cholest-7-en-6-one
Synonyms
LM ID
LMST01010540
Formula
C27H44O3
Exact Mass
Calculate m/z
416.329045
Sum Composition
ST 27:2;O3
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
Peniocereus viperinus (#336147)
Magnoliopsida (#3398)
Neue Sterine aus dem Kaktus Wilcoxia viperina,
EurJIC, 1964

String Representations

InChiKey (Click to copy)
HGCLEPLEUUJGID-REBIDWDSSA-N
InChi (Click to copy)
InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-9-10-21-22-16-24(29)23-15-19(28)11-12-26(23,5)27(22,30)14-13-25(20,21)4/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23-,25-,26+,27-/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C[C@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)C)(O)[C@]21C

Other Databases

PubChem CID
21593998

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 447.31
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.26
Molar Refractivity 121.93

Admin

Created at
9th May 2023
Updated at
9th May 2023