LIPID MAPS

Structure Database (LMSD)

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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

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Peniocereus viperinus (#336147)

Magnoliopsida (#3398)

Neue Sterine aus dem Kaktus Wilcoxia viperina,
EurJIC, 1964

DOI: 10.1002/cber.19640971123

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