Structure database (LMSD)

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LM IDLMPR0103660002
Common Name(+)-3,7(11)-Acoradiene
Systematic Name-
Synonyms-
Exact Mass
218.1671 (neutral)    Calculate m/z:
FormulaC15H22O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acorane sesquiterpenoids [PR010366]
PubChem CID42608179
InChIKeyGCGYSSVLNKVBEK-DOMZBBRYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H22O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,12H,5-6,8-9H2,
1-4H3/t12-,15+/m1/s1
SMILESC1(=O)C(C)=CC[C@@]2([C@H](C)CC/C/2=C(/C)\C)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
244.21Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.05Molar
Refractivity
67.20