Structure database (LMSD)

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LM IDLMPR01070050
Common NameCapsanthin 3,6-epoxide
Systematic Name-
Synonyms-
Exact Mass
600.4179 (neutral)    Calculate m/z:
FormulaC40H56O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
LIPIDBANK IDVCA0048
PubChem CID16061208
InChIKeyTWTPPPZIWNGQCQ-YNKJSWFTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-
11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33
-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-1
9+,32-20+/t33-,34-,38-,39+,40+/m0/s1
SMILES-
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms44Rings3Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
672.24Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP10.16Molar
Refractivity
186.15