CAS 115-71-9 | 2-Penten-1-ol, 5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-, (2Z)- | CAS Number 115-71-9

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115-71-9 | 2-Penten-1-ol, 5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-, (2Z)-

CAS No: 115-71-9 Catalog No: AG000FKL MDL No:

Product Description

Catalog Number:

AG000FKL

Chemical Name:

2-Penten-1-ol, 5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-, (2Z)-

CAS Number:

115-71-9

Molecular Formula:

C15H24O

Molecular Weight:

220.3505

IUPAC Name:

5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol

InChI:

InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3

InChI Key:

PDEQKAVEYSOLJX-UHFFFAOYSA-N

SMILES:

OC/C(=C\CC[C@]1(C)C2C[C@@H]3C1(C)[C@@H]3C2)/C

EC Number:

204-102-8

Properties

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.356g/mol

Monoisotopic Mass:

220.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

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Preparative separation of α- and β-santalenes and (Z)-α- and (Z)-β-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil.	The Analyst 20121007
Determination of the absolute stereochemistry of limonene and alpha-santalol by Raman optical activity spectroscopy.	Natural product communications 20120401
Structure-odor relationships of α-santalol derivatives with modified side chains.	Molecules (Basel, Switzerland) 20120222
Anti-Helicobacter pylori compounds from Santalum album.	Journal of natural products 20050601
Skin cancer chemopreventive agent, {alpha}-santalol, induces apoptotic death of human epidermoid carcinoma A431 cells via caspase activation together with dissipation of mitochondrial membrane potential and cytochrome c release.	Carcinogenesis 20050201
Comprehensive two-dimensional gas chromatography with flame ionization and time-of-flight mass spectrometry detection: qualitative and quantitative analysis of West Australian sandalwood oil.	Journal of chromatographic science 20040901
In the quest for a virtual pseudo receptor for sandalwood-like odorants. Part I: The empirical approach.	Chemistry & biodiversity 20040701
Evaluation of the quality of sandalwood essential oils by gas chromatography-mass spectrometry.	Journal of chromatography. A 20040305