Structure Database (LMSD)
Common Name
3,4,3',4'-Tetrahydrospirilloxanthin
Systematic Name
Synonyms
3D model of 3,4,3',4'-Tetrahydrospirilloxanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
LCTIOHZQWXQPIB-VYCPWLLESA-N
InChi (Click to copy)
InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
SMILES (Click to copy)
CC(OC)(C)CCC/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/C=C(\C)/CCCC(OC)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
723.70
Topological Polar Surface Area
18.46
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
13.21
Molar Refractivity
199.14
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Created at
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Updated at
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