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16223-63-5 | 1H-3a,6-Methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
CAS No: 16223-63-5 Catalog No: AG001SXE MDL No:
Product Description
Catalog Number:
AG001SXE
Chemical Name:
1H-3a,6-Methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
CAS Number:
16223-63-5
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
[(1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol
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
SMILES:
OC[C@H]1CC[C@H]2[C@@]31CC[C@H](C3)C(C2=C)(C)C
UNII:
T4N33ECG0W
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Tricyclic sesquiterpenes from Vetiveria zizanoides (L.) Nash as antimycobacterial agents. | Chemical biology & drug design 20131101 |
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