Structure database (LMSD)

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LM IDLMPR01070025
Common NameAnhydroeschscholtzxanthin
Systematic Name-
Synonyms-
Exact Mass
530.3913 (neutral)    Calculate m/z:
FormulaC40H50
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
LIPIDBANK IDVCA0023
PubChem CID16061192
InChIKeyPWZXLDMNUZDPKS-VDISQYCASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H50/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18
-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-30H,1-10H3/b17-11+,18-
12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+
SMILESC1=C(C)/C(=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C2\C(C)(C)C=CC=C\
2C)/C(C)(C)C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings2Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
638.88Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP11.93Molar
Refractivity
181.11