(1S)-(+)-Myrtenol - CAS 6712-78-3

Catalog:	BB060405
Product Name:	(1S)-(+)-Myrtenol
CAS:	6712-78-3
Synonyms:	Darwinol; (+)-myrtenol; [(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol; mirtenol; 6,6-Dimethyl-(1S)-Bicyclo(3.1.1)hept-2-ene-2-methanol; 6,6-Dimethyl-(1S)-Bicyclo[3.1.1]hept-2-ene-2-methanol; ((1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol; [(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methanol

Technical Data

IUPAC Name:	[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Description:	(1S)-(+)-Myrtenol is used as a novel 11β-HSD1 inhibitor which exhibited anti-adipogenic effect on human and mouse liver and fats.
Molecular Weight:	152.23
Molecular Formula:	C10H16O
Canonical SMILES:	CC1(C2CC=C(C1C2)CO)C
InChI:	InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m1/s1
InChI Key:	RXBQNMWIQKOSCS-RKDXNWHRSA-N
Boiling Point:	106.00 to 107.00 °C at 14.00 mm Hg
Solubility:	426.9 mg/l at 25 °C (est)
Storage:	4°C
LogP:	2.845 (est)

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	152.12011513
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.12011513
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6