Rotenolone
[CAS# 16431-42-8]

Identification

• Name: Rotenolone
• Synonyms: (1)Benzopyrano(3,4-B)Furo(2,3-H)(1)Benzopyran-6(6Ah)-One, 1,2,12,12A-Tetrahydro-6A-Hydroxy-8,9-Dimethoxy-2-(1-Methylethenyl)-, (2R-(2Alpha,6Abeta,12Abeta))-; 12-Hydroxyrotenone
• Molecular Formula: C₂₃H₂₂O₇
• Molecular Weight: 410.42
• CAS Registry Number: 16431-42-8
• SMILES: [C@H]25[C@](C(C1=CC=C3C(=C1O2)C[C@@H](O3)C(=C)C)=O)(C4=CC(=C(C=C4OC5)OC)OC)O
• InChI: 1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20+,23+/m1/s1
• InChIKey: JFVKWCYZKMUTLH-CGYQNGNCSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 623.062°C at 760 mmHg (Cal.)
• Flash point: 219.155°C (Cal.)