(-)-Guaiol
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(-)-Guaiol
structure -
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CAS No:
489-86-1
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Formula:
C15H26O
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Chemical Name:
(-)-Guaiol
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Synonyms:
5-Azulenemethanol,1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-,(3S,5R,8S)-;Guaiol;Guai-1(5)-en-11-ol;5-Azulenemethanol,1,2,3,4,5,6,7,8-octahydro-α,α,3,8-tetramethyl-,[3S-(3α,5α,8α)]-;5-Azulenemethanol,1,2,3,4,5β,6,7,8-octahydro-α,α,3α,8α-tetramethyl-;(3S,5R,8S)-1,2,3,4,5,6,7,8-Octahydro-α,α,3,8-tetramethyl-5-azulenemethanol;Champaca camphor;Champacol;3,8-Dimethyl-5-α-hydroxyisopropyl-Δ9-octahydroazulene;Guaiac alcohol;(-)-Guaiol;NSC 19941;2-((3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-ol
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CAS No:
Description
Guaiol is a sesquiterpene alcohol that has been found in several traditional Chinese medicinal plants and has antiproliferative, pro-autophagic, insect repellent, and insecticidal biological activities[1][2][3].
Guaiol is a guaiane sesquiterpenoid.
Characteristics
20.2
4.81
0.9714 g/cm3 @ Temp: 20 °C
91 °C
132-136 °C @ Press: 10 Torr
113.6±15.6 °C
1.503
1 vol in at least 7 vol of 70% alcohol; solutions are sometimes slightly turbid or opalescent.
2-8°C
0.000268mmHg at 25°C
D20 -30° (c = 4 in alc)
WOODY, ROSE-LIKE ODOR
146.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
NONH for all modes of transport
3
22-24/25
P264, P280, P302+P352, P321, P332+P313, P362
H315
(-)-Guaiol Use and Manufacturing
5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, (3S,5R,8S)-: ACTIVE
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
Computed Properties
Molecular Weight:222.37
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:222.198365449
Monoisotopic Mass:222.198365449
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:301
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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