Asteltoxin
[CAS# 72061-91-7]

Identification

• Name: Asteltoxin
• Synonyms: 6-[(1E,3E,5E)-6-[(2R,3S,3Ar,4R,5R,6As)-2-Ethyl-3,4-Dihydroxy-3,3A-Dimethyl-2,4,5,6A-Tetrahydrofuro[4,5-D]Furan-5-Yl]Hexa-1,3,5-Trienyl]-4-Methoxy-5-Methyl-Pyran-2-One; Methanol; 6-[(1E,3E,5E)-6-[(2R,3S,3Ar,4R,5R,6As)-2-Ethyl-3,4-Dihydroxy-3,3A-Dimethyl-2,4,5,6A-Tetrahydrofuro[4,5-D]Furan-5-Yl]Hexa-1,3,5-Trienyl]-4-Methoxy-5-Methyl-2-Pyranone; Methanol; 2H-Pyran-2-One, 6-(6-(5-Ethylhexahydro-3,4-Dihydroxy-3A,4-Dimethylfuro(2,3-B)Furan-2-Yl)-1,3,5-Hexatrienyl)-4-Methoxy-5-Methyl-, (2S-(2Alpha(1E,3E,5E),3Alpha,3Abeta,4Beta,5Beta,6Abeta))-, Compd. With Methanol (1:1)-
• Molecular Formula: C₂₄H₃₄O₈
• Molecular Weight: 450.53
• CAS Registry Number: 72061-91-7
• SMILES: [C@@]12([C@H](O[C@@H]([C@]1(O)C)CC)O[C@@H]([C@@H]2O)\C=C\C=C\C=C\C3=C(C(=CC(O3)=O)OC)C)C.CO
• InChI: 1S/C23H30O7.CH4O/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15;1-2/h7-13,16,18,20-21,25-26H,6H2,1-5H3;2H,1H3/b8-7+,11-9+,12-10+;/t16-,18-,20+,21+,22+,23-;/m1./s1
• InChIKey: MWXOIQODKACGSU-HZBPYGRJSA-N

Properties

• Boiling point: 612.1°C at 760 mmHg (Cal.)
• Flash point: 208.5°C (Cal.)