Structure database (LMSD)

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LM IDLMPR0104310001
Common Name7β-Hydroxy-lathyrol
Systematic Name-
Synonyms-
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Lathyrane diterpenoids [PR010431]
PubChem CID42608244
InChIKeyXYXDIXJADPYNOO-UHPDLYGISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O4/c1-10-6-15-17(22)12(3)9-20(15,24)18(23)11(2)7-13-14(8-16(10)21)19(13,4)5/h7,12-17,21-22,24H,1,6,8-9H2,2-5H3/b11-7-/t12-,13+,14-,15?,16+,17-,20+/m0/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
344.72Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP3.09Molar
Refractivity
93.67