| Identification | Back Directory | [Name]
(2aS)-6-[2-(3-Furyl)ethyl]-2,2a,5,5a,8aα,8bα-hexahydro-2aα,5aβ,7-trimethyl-3H-naphtho[1,8-bc]furan-2,8(4H)-dione | [CAS]
62340-62-9 | [Synonyms]
Ballonigrin
Ballonigrine
(2aS)-6-[2-(3-Furyl)ethyl]-2,2a,5,5a,8aα,8bα-hexahydro-2aα,5aβ,7-trimethyl-3H-naphtho[1,8-bc]furan-2,8(4H)-dione
2H-Naphtho[1,8-bc]furan-2,8(2aH)-dione, 6-[2-(3-furanyl)ethyl]-3,4,5,5a,8a,8b-hexahydro-2a,5a,7-trimethyl-, (2aS,5aS,8aS,8bR)- | [Molecular Formula]
C20H24O4 | [MDL Number]
MFCD32706904 | [MOL File]
62340-62-9.mol | [Molecular Weight]
328.4 |
| Chemical Properties | Back Directory | [Boiling point ]
490.618±45.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.178±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [storage temp. ]
2-8°C | [form ]
solid | [InChI]
1S/C20H24O4/c1-12-14(6-5-13-7-10-23-11-13)19(2)8-4-9-20(3)17(19)16(15(12)21)24-18(20)22/h7,10-11,16-17H,4-6,8-9H2,1-3H3/t16-,17-,19-,20+/m1/s1 | [InChIKey]
FREUGTILYKJVRL-LFGUQSLTSA-N | [SMILES]
[o]1cc(cc1)CCC2=C(C(=O)[C@H]3OC(=O)[C@@]4([C@H]3[C@@]2(CCC4)C)C)C |
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