Structure Database (LMSD)
Common Name
OH-Spheroidenone
Systematic Name
1'-Hydroxy-1-methoxy-3,4-didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-2-one
Synonyms
3D model of OH-Spheroidenone
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides
(#1063)
Alphaproteobacteria
(#28211)
Bacterial Carotenoids. XV. On the Constitution of the Minor Carotenoids of Rhodopseudomonas. 5. The Structures of P518 (2,2'-Diketo-spirilloxanthin), OH-R (OH-Spheroidenone), and OH-Y (OH-Spheroidene),
Acta Chem Scand, 1964
Acta Chem Scand, 1964
String Representations
InChiKey (Click to copy)
RUIGAJAIJJUKFM-PZWPVEARSA-N
InChi (Click to copy)
InChI=1S/C41H60O3/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-40(7,8)43)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-39(42)41(9,10)44-11/h12-15,17,19-24,26-28,30-31,43H,16,18,25,29,32H2,1-11H3/b13-12+,21-14+,22-15+,26-17+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES (Click to copy)
CC(C)(OC)C(=O)/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)/CC/C=C(\C)/CCCC(C)(O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
712.55
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
11.73
Molar Refractivity
194.74
Admin
Created at
-
Updated at
16th Jun 2025