Structure database (LMSD)

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LM IDLMPR0105040002
Common Name(-)-Salvisyriacolide
Systematic Name-
Synonyms-
Exact Mass
436.2825 (neutral)    Calculate m/z:
FormulaC25H40O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Bicyclic sesterterpenoids [PR010504]
PubChem CID42608278
InChIKeyWCXUHQRLXBOHIU-CRPKKIMSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H40O6/c1-15(6-8-18-16(2)12-21(29)31-18)7-9-19-23(3)11-10-20(28)24(4,
14-26)22(23)17(27)13-25(19,5)30/h6,12,17-20,22,26-28,30H,7-11,13-14H2,1-5H3/b15-
6+/t17-,18?,19+,20+,22?,23+,24-,25+/m0/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings3Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
448.80Topological Polar
Surface Area
109.29Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP4.31Molar
Refractivity
120.55