Structure database (LMSD)

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LM IDLMPR0104160002
Common Nameaphidicolan-16β-ol
Systematic Name-
SynonymsAphidicolan-16β-ol
Exact Mass
290.2610 (neutral)    Calculate m/z:
FormulaC20H34O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Aphidicolane diterpenoids [PR010416]
PubChem CID443480
KEGG IDC11890
CHEBI ID29519
InChIKeyODCPNBCPLWJVQI-XEUIXDHISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)16(17)7-6-14-12-15-13-20(14,18)11-10-19(15,4)21/h14-16,21H,5-13H2,1-4H3/t14-,15?,16-,18-,19+,20-/m0/s1
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SMILES
[C@@]12(CCCC(C)(C)[C@]1([H])CC[C@@]1([H])C[C@H]3C[C@]21CC[C@]3(O)C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
313.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.46Molar
Refractivity
87.48