Structure database (LMSD)

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LM IDLMPR0104210003
Common Name(-)-Cladielline
Systematic Name(-)-6α,13α-epoxy-4(18),8-eunicelladiene-12β-ol
Synonyms-
Exact Mass
304.2402 (neutral)    Calculate m/z:
FormulaC20H32O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Eunicellane and asbestinane diterpenoids [PR010421]
PubChem CID42608231
InChIKeyJRIWYQNERQUJOM-ZSQWWYBESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O2/c1-12(2)15-9-8-14(4)17-16-11-13(3)7-6-10-20(5,21)19(22-16)18(15)17/h7,12,15-19,21H,4,6,8-11H2,1-3,5H3/b13-7-/t15-,16-,17-,18-,19-,20+/m1/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
329.78Topological Polar
Surface Area
31.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.35Molar
Refractivity
92.11