Structure database (LMSD)

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LM IDLMPR0104280002
Common NameVerrucosan-2b-ol
Systematic Name-
Synonyms-
Exact Mass
290.2610 (neutral)    Calculate m/z:
FormulaC20H34O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Verrucosane and modified verrucosane diterpenoids [PR010428]
PubChem CID194329
InChIKeyQQHDEGUZXBOWLH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
C12(CC1CC1(C)CCC3(C)CCC(C(C)C)C3C1C2O)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
313.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.17Molar
Refractivity
87.34