Structure Database (LMSD)

Common Name
Verrucosan-2b-ol
Systematic Name
Synonyms
LM ID
LMPR0104280002
Status
Active
Exact Mass
Calculate m/z
290.260965
Formula
C20H34O
Show lipids differing only in stereochemistry/bond geometry
Download as...
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
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Verrucosane and modified verrucosane diterpenoids [PR010428]

String Representations

InChiKey (Click to copy)
QQHDEGUZXBOWLH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H34O/c1-12(2)14-6-7-18(3)8-9-19(4)10-13-11-20(13,5)17(21)16(19)15(14)18/h12-17,21H,6-11H2,1-5H3
SMILES (Click to copy)
C12(CC1CC1(C)CCC3(C)CCC(C(C)C)C3C1C2O)C

References

Other Databases

PubChem CID
194329

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 313.91
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.17
Molar Refractivity 87.34

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Created at
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Updated at
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