(1aS,7aR)-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-dihydroxy-5-methyl-7a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7-quinone
[CAS# 110200-30-1]

Identification

• Name: (1aS,7aR)-1a-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-dihydroxy-5-methyl-7a-(3-methylbut-2-enyl)naphtho[2,3-b]oxirene-2,7-quinone
• Synonyms: (1As,7Ar)-1A-[(2E)-3,7-Dimethylocta-2,6-Dienyl]-4,6-Dihydroxy-5-Methyl-7A-(3-Methylbut-2-Enyl)Naphtho[2,3-B]Oxirene-2,7-Quinone; Antibiotic Sf2415b2; Naphth(2,3-B)Oxirene-2,7-Dione, 7A-(3,7-Dimethyl-2,6-Octadienyl)-1A,7A-Dihydro-3,5-Dihydroxy-4-Methyl-1A-(3-Methyl-2-Butenyl)-, (1A-Alpha,7A-Alpha(E))-(+)-
• Molecular Formula: C₂₆H₃₂O₅
• Molecular Weight: 424.54
• CAS Registry Number: 110200-30-1
• SMILES: [C@]12(O[C@@]1(C(=O)C3=C(C2=O)C(=C(C(=C3)O)C)O)C\C=C(\CCC=C(C)C)C)CC=C(C)C
• InChI: 1S/C26H32O5/c1-15(2)8-7-9-17(5)11-13-25-23(29)19-14-20(27)18(6)22(28)21(19)24(30)26(25,31-25)12-10-16(3)4/h8,10-11,14,27-28H,7,9,12-13H2,1-6H3/b17-11+/t25-,26+/m1/s1
• InChIKey: SPBCICJVKKIBOS-QTDPTHNZSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 601.219°C at 760 mmHg (Cal.)
• Flash point: 199.814°C (Cal.)