Structure database (LMSD)

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LM IDLMPR0103090013
Common Namealatolide
Systematic Name(1E,4Z)-14,15-dihydroxy-8α-(2-methylpropanoyloxy)germacra-1(10),4,11(13)-
trieno-12,6α-lactone
SynonymsAlatolide
Exact Mass
350.1729 (neutral)    Calculate m/z:
FormulaC19H26O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Germacrane sesquiterpenoids [PR010309]
PubChem CID5281421
KEGG IDC09290
CHEBI ID2542
InChIKeyIAKJNLGPQQXWAV-YINPGZOOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)1
9(23)25-16/h5,8,11,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b13-5-,14-8-/t15-,16+,17+/m
0/s1
SMILES[C@]12([H])C(=C)C(O[C@]1([H])C=C(CO)CCC=C(CO)C[C@@H]2OC(=O)C(C)C)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings2Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
352.08Topological Polar
Surface Area
95.13Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP2.82Molar
Refractivity
93.42