Structure database (LMSD)

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LM IDLMPR0103780002
Common Name14-Hydroxy-modhephene
Systematic Name-
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Modhephane sesquiterpenoids [PR010378]
PubChem CID42608196
InChIKeyPKIVAOLKVPUUIW-PMOUVXMZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O/c1-11-5-8-14-6-4-7-15(11,14)12(2)9-13(14,3)10-16/h9,11,16H,4-8,
10H2,1-3H3/t11-,13+,14-,15+/m0/s1
SMILES[C@]123C(C)=C[C@](C)(CO)[C@]1(CCC2)CC[C@@H]3C
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2000, 17, 483-504.
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
 logP3.82Molar
Refractivity
66.55