Structure database (LMSD)

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LM IDLMPR0104210002
Common Name(-)-Enunicelline
Systematic Name(-)-6α,13α-epoxy-8(19)-eunicellene-3α,4β,9β,12β-tetrol
Synonyms-
Exact Mass
354.2406 (neutral)    Calculate m/z:
FormulaC20H34O5
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Eunicellane and asbestinane diterpenoids [PR010421]
PubChem CID42608230
InChIKeySUIXMZMMFNVBIF-HMALJIELSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H34O5/c1-10(2)12-9-15(22)20(5,24)17-14-8-11(3)13(21)6-7-19(4,23)18(25-14)16(12)17/h10,12-18,21-24H,3,6-9H2,1-2,4-5H3/t12-,13+,14-,15+,16-,17-,18-,19+,20-/m1/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
358.79Topological Polar
Surface Area
92.22Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP3.34Molar
Refractivity
97.91