Structure Database (LMSD)
Common Name
1'-Hydroxy-3,4,1',2',11',12'-hexahydrospheroidene
Systematic Name
1'-Methoxy-1,2,7,8,11,12,1',2'-octahydro-psi,psi-caroten-1-ol
Synonyms
3D model of 1'-Hydroxy-3,4,1',2',11',12'-hexahydrospheroidene
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
String Representations
InChiKey (Click to copy)
URTRBZLSOOJMOH-QAPWXVJQSA-N
InChi (Click to copy)
InChI=1S/C41H66O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-13,15,17,20-21,23-25,27-29,42H,14,16,18-19,22,26,30-33H2,1-11H3/b13-12+,23-15+,27-17+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
SMILES (Click to copy)
C(=C(/C)\CCCC(C)(C)O)/CC/C(/C)=C/CC/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(OC)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
Aromatic Rings
Rotatable Bonds
21
Van der Waals Molecular Volume
711.68
Topological Polar Surface Area
29.46
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
13.00
Molar Refractivity
194.54
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021