Khusenol - CAS 16223-63-5
Catalog: |
BB060488 |
Product Name: |
Khusenol |
CAS: |
16223-63-5 |
Synonyms: |
Khusimol; Khusenol; 1H-3a,6-Methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S-(3alpha,3aalpha,6alpha,8aalpha))-; Tricyclovetivenol |
IUPAC Name: | [(1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol |
Molecular Weight: | 220.35 |
Molecular Formula: | C15H24O |
Canonical SMILES: | CC1(C2CCC3(C2)C(CCC3C1=C)CO)C |
InChI: | InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,15+/m1/s1 |
InChI Key: | OOYRHNIVDZZGQV-BHPKHCPMSA-N |
References: | Belhassen, E, et al. Chemistry & Biodiversity, Vol. 11, Issue 11, P: 1821-1842 (2014). |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.182715385 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.182715385 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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