Structure Database (LMSD)

Common Name
Verrucosan-2b-ol
Systematic Name
Synonyms
LM ID
LMPR0104280002
Formula
C20H34O
Exact Mass
Calculate m/z
290.260965
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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

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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