Solanesol
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Solanesol
structure -
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CAS No:
13190-97-1
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Formula:
C45H74O
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Chemical Name:
Solanesol
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Synonyms:
2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol,3,7,11,15,19,23,27,31,35-nonamethyl-,(2E,6E,10E,14E,18E,22E,26E,30E)-;2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol,3,7,11,15,19,23,27,31,35-nonamethyl-,(all-E)-;(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-ol;Solanesol;Nonaisoprenol;Farnesylfarnesylfarnesol;111820-07-6;540-03-4
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CAS No:
Description
It is pale yellow powder. It is insoluble in water, slightly soluble in methanol, ethanol and soluble in acetone, chloroform and hexane; It has the m.p. > 33 ℃ Brown Waxy SolidChEBI: 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).
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 nonaprenol and a primary alcohol.
Characteristics
20.2
15.9
brown waxy solid
0.889±0.06 g/cm3(Predicted)
33-35 °C
685.6±24.0 °C(Predicted)
130.3±19.2 °C
1.507
−20°C
9.21E-22mmHg at 25°C
256.8 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
3
24/25
MP5366666
Stable, but may be heat sensitive - store cold. Combustible. Incompatible with strong oxidizing agents.
Solanesol Use and Manufacturing
Tracer for environmental exposure to tobacco smoke.
2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-: INACTIVE
Computed Properties
Molecular Weight:631.1
XLogP3:15.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:25
Exact Mass:630.57396698
Monoisotopic Mass:630.57396698
Topological Polar Surface Area:20.2
Heavy Atom Count:46
Complexity:1100
Defined Bond Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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