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Solanesol

CAT: 1410-M17946-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Phytochemical present in tobacco leaf. Starting material for synthesis of co-enzyme Q10. Exhibits antiulcer activity.
CAS Number
13190-97-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
631.07
Molecular Formula
C45H74O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Solanesol

Solanesol is a nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). It has a role as a plant metabolite. It is a primary alcohol and a nonaprenol.

CAS Number13190-97-1
PubChem CID5477212
IUPAC Name(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
Molecular FormulaC45H74O
Molecular Weight631.1
XLogP15.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count25
Heavy Atom Count46
Formal Charge0
Complexity1100
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+
InChIKey
AFPLNGZPBSKHHQ-MEGGAXOGSA-N
Chemical Structure
2D Structure
2D structure of Solanesol
CAS: 13190-97-1
CID: 5477212
Formula: C45H74O
MW: 631.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight631.1
XLogP315.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count25
Exact Mass630.57396698
Monoisotopic Mass630.57396698
Topological Polar Surface Area20.2 Ų
Heavy Atom Count46
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count8
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B8776-500Solanesol
A10856-1000Solanesol 1000mg
C08491Solanesol (Nonaisoprenol)
HY-N0576R-01Solanesol (Standard)
TRC-S676500-5GSolanesol (~90%)
A10856-250Solanesol 250mg

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