Structure database (LMSD)

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LM IDLMPR0103470001
Common Name2-Africananol
Systematic Name-
Synonyms-
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Africanane sesquiterpenoids [PR010347]
PubChem CID42608164
InChIKeyKVFZUTBKAXAVDX-OGMFBOKVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H26O/c1-10-5-6-12-14(4)8-11(14)7-13(2,3)9-15(10,12)16/h10-12,16H,5-9
H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
SMILES[C@]12(O)CC(C)(C)C[C@H]3C[C@@]3(C)[C@@]1([H])CC[C@H]2C
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