TRANS-SOBREROL

Product Information

Molecular Formula:
C10H18O2
Molecular Weight:
170.25
Description
trans-Sobrerol is a natural product found in Boswellia sacra.
Synonyms
TRANS-5-HYDROXY-ALPHA,ALPHA,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL; TRANS-SOBREROL; TRANS-P-MENTH-1-ENE-6,8-DIOL; TRANS-P-MENTH-6-ENE-2,8-DIOL; trans-5-hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol; trans-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-met
IUPAC Name
(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
Canonical SMILES
CC1=CCC(CC1O)C(C)(C)O
InChI
InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1
InChI Key
OMDMTHRBGUBUCO-BDAKNGLRSA-N
Boiling Point
270-271 ℃ (lit.)
Melting Point
130-132 ℃ (lit.)
Flash Point
Not applicable
Purity
0.99

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

XLogP3
0.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
170.130679813 g/mol
Monoisotopic Mass
170.130679813 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
194
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-10980756-B1 Methods of treatment 2020-03-16
WO-2021188564-A1 Methods of treating covid-19 with a niclosamide compound 2020-03-16
US-2022079897-A1 Methods of treatment 2020-03-16
WO-2021142238-A1 Deuterated niclosamide 2020-01-10
WO-2021087374-A1 Methods for the characterization of fluid 2019-11-01
WO-2021087395-A1 Methods and systems for menstrualome analysis 2019-11-01
US-2021114973-A1 Pharmaceutical formulations 2019-10-18
WO-2021076922-A1 Pharmaceutical formulations 2019-10-18
WO-2021076805-A1 Mrnas encoding immune modulating polypeptides and uses thereof 2019-10-15
US-2021087135-A1 Branched tail lipid compounds and compositions for intracellular delivery of therapeutic agents 2019-09-19

Literatures

PMID Publication Date Title Journal
20297798 2010-04-16 A novel synthesis of oxabicyclo[3.3.1]nonanone via (3,5)-oxonium-ene reaction Organic letters
16436284 2006-05-30 Herbal monoterpene alcohols inhibit propofol metabolism and prolong anesthesia time Life sciences
11535970 2001-08-01 Oral neltenexine in patients with obstructive airways diseases: an open, randomised, controlled comparison versus sobrerol Minerva medica
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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