Structure database (LMSD)

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LM IDLMPR0103280001
Common Name(-)-Kanshone A
Systematic Name-
Synonyms-
Exact Mass
236.1776 (neutral)    Calculate m/z:
FormulaC15H24O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Nardosinane sesquiterpenoids [PR010328]
PubChem CID15694585
InChIKeyLVUPOAWDACSHHD-DGFSRKRXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24O2/c1-10-6-5-7-11-12(16)8-9-13(14(2,3)17)15(10,11)4/h7,10,13,17H,5-6,8-9H2,1-4H3/t10-,13+,15+/m1/s1
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SMILES
C1C=C2C(=O)CC[C@@H](C(O)(C)C)[C@@]2(C)[C@H](C)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
255.64Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.39Molar
Refractivity
69.13