Structure database (LMSD)

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LM IDLMPR0104310004
Common Name(-)-Jolkinol B
Systematic Name-
Synonyms-
Exact Mass
464.2563 (neutral)    Calculate m/z:
FormulaC29H36O5
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Lathyrane diterpenoids [PR010431]
PubChem CID42608247
InChIKeyOMBNGHNNZSKBRK-QOYUJADGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15-/t18-,20-,21+,23?,24-,26+,28+,29+/m0/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms34Rings5Aromatic Rings1Rotatable Bonds4
 van der Waals
Molecular Volume
463.03Topological Polar
Surface Area
76.13Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP5.88Molar
Refractivity
131.66