Structure database (LMSD)

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LM IDLMPR0104010010
Common Nameplaunotol
Systematic Name(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol
Synonyms(E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol;
Kelnac; Plaunotolum
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Acyclic diterpenoids [PR010401]
PubChem CID5282197
KEGG IDC13273
CHEBI ID32023
InChIKeySUWYPNNPLSRNPS-UNTSEYQFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O2/c1-17(2)8-5-9-18(3)10-6-12-20(16-22)13-7-11-19(4)14-15-21/h8,10,13-14,21-22H,5-7,9,11-12,15-16H2,1-4H3/b18-10+,19-14+,20-13-
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SMILES
C/C(=C/CC/C(/C)=C/CC/C(=C/CC/C(/C)=C/CO)/CO)/C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
361.58Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP5.67Molar
Refractivity
97.88