Structure database (LMSD)

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LM IDLMPR0104310003
Common Name(-)-Jolkinol A
Systematic Name-
Synonyms-
Exact Mass
480.2512 (neutral)    Calculate m/z:
FormulaC29H36O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Lathyrane diterpenoids [PR010431]
PubChem CID42608246
InChIKeyZLHWPIKKGZWBKR-WRBFAYPNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14-/t17-,20-,21+,23?,24-,26+,28+,29+/m0/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings5Aromatic Rings1Rotatable Bonds5
 van der Waals
Molecular Volume
471.82Topological Polar
Surface Area
96.36Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP5.14Molar
Refractivity
133.56