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119188-33-9 | 2-Naphthalenol, 4-[(1E)-2-(3-furanyl)ethenyl]decahydro-4a,8,8-trimethyl-3-methylene-, (2S,4R,4aS,8aS)-
CAS No: 119188-33-9 Catalog No: AG000IAE MDL No:MFCD17214879
Product Description
Catalog Number:
AG000IAE
Chemical Name:
2-Naphthalenol, 4-[(1E)-2-(3-furanyl)ethenyl]decahydro-4a,8,8-trimethyl-3-methylene-, (2S,4R,4aS,8aS)-
CAS Number:
119188-33-9
Molecular Formula:
C20H28O2
Molecular Weight:
300.4351
MDL Number:
MFCD17214879
IUPAC Name:
(2S,4R,4aS,8aS)-4-[(E)-2-(furan-3-yl)ethenyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
InChI:
InChI=1S/C20H28O2/c1-14-16(7-6-15-8-11-22-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16-,17-,18-,20+/m0/s1
InChI Key:
RHCBUXSXDFNUAG-UDMCIFMYSA-N
SMILES:
C=C1[C@@H](O)C[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
300.209g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.442g/mol
Monoisotopic Mass:
300.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Concise syntheses of coronarin A, coronarin E, austrochaparol and pacovatinin A. | Chemical & pharmaceutical bulletin 20080301 |
| A study on the synthesis of antiangiogenic (+)-coronarin A and congeners from (+)-sclareolide. | Bioorganic & medicinal chemistry letters 20030616 |
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