Structure database (LMSD)

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LM IDLMPR0103690005
Common Nameepi-cedrol
Systematic Namecedran-8-ol
Synonyms(3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol; 8-
epicedrol
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cedrane and isocedrane sesquiterpenoids [PR010369]
PubChem CID6713078
CHEBI ID52226
InChIKeySVURIXNDRWRAFU-MIBAYGRRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
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SMILES
[C@H]1(C)[C@@]23[C@]([H])(C(C)(C)[C@@H](C2)[C@](O)(C)CC3)CC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
239.77Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.90Molar
Refractivity
66.58