Structure database (LMSD)

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LM IDLMPR0103230001
Common NameEpi-Torilenol
Systematic Name5αH,6βH,7αH,8βH,10α-6,8-cycloeudesm-4(15)-en-1α-ol
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cycloeudesmane sesquiterpenoids [PR010323]
PubChem CID42608144
InChIKeyWVVFQZGQVPKOMT-RBTXIFOQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24O/c1-8(2)12-10-7-15(4)11(16)6-5-9(3)14(15)13(10)12/h8,10-14,16H,3,5-7H2,1-2,4H3/t10-,11+,12-,13-,14-,15-/m1/s1
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SMILES
C1[C@H](O)[C@@]2(C)C[C@]3([C@]([H])([C@@H]3C(C)C)[C@@]2([H])C(=C)C1)[H]
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StatusActive
ReferencesConstituents of the essential oil of Solidago gigantea Ait.(giant goldenrod)
Flavour Fragr. J., 2001
DOI: 10.1002/1099-1026(200101/02)16:13.0.CO;2-U
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
237.13Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.53Molar
Refractivity
66.41