Structure database (LMSD)

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LM IDLMPR0104220001
Common NameSphaerodiene
Systematic Name-
Synonyms-
Exact Mass
276.2817 (neutral)    Calculate m/z:
FormulaC20H36
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Sphaerane diterpenoids [PR010422]
PubChem CID42608233
InChIKeyDKVPTVNYCBDANA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H36/c1-14(2)16-9-6-10-17-18-15(3)8-7-11-19(18,4)12-13-20(16,17)5/h14-18H,6-13H2,1-5H3
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SMILES
C1CCC2C3C(C)CCCC3(C)CCC2(C)C1C(C)C
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StatusActive
ReferencesTetrahedron Letters, 1981, Vo1.22, No.41, 4123 - 4126.
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
317.48Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.30Molar
Refractivity
87.62