Structure database (LMSD)

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LM IDLMPR0104180004
Common Name(-)-Leucothol C
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 4Leucothol and grayanotoxane diterpenoids [PR010418]
PubChem CID42608227
InChIKeyRPVINCFOPQZXJM-UIVPEWPISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O4/c1-10-8-19-9-20(24)14(7-15(21)18(3,4)17(20)23)11(2)13(19)6-5-12(10)16(19)22/h8,12-17,21-24H,2,5-7,9H2,1,3-4H3/t12-,13-,14+,15-,16+,17-,19+,20-/m0/s1
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SMILES
[C@@H]12C(C)=C[C@]3(C[C@@]4(O)[C@@H](O)C(C)(C)[C@@H](O)C[C@]4([H])C(=C)[C@]3([H])CC1)[C@@H]2O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
335.00Topological Polar
Surface Area
80.92Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP2.92Molar
Refractivity
93.07