Triptonolide
[CAS# 79548-61-1]

Identification

• Name: Triptonolide
• Synonyms: (3Bs,9Br)-6-Hydroxy-7-Isopropyl-9B-Methyl-3B,4,10,11-Tetrahydro-3H-Naphtho[3,4-E]Isobenzofuran-1,5-Dione; (3Bs,9Br)-6-Hydroxy-7-Isopropyl-9B-Methyl-3B,4,10,11-Tetrahydro-3H-Naphtho[3,4-E]Isobenzofuran-1,5-Quinone; Phenanthro(1,2-C)Furan-1,5-Dione, 3,3B,4,9B,10,11-Hexahydro-6-Hydroxy-9B-Methyl-7-(1-Methylethyl)-, Trans-
• Molecular Formula: C₂₀H₂₂O₄
• Molecular Weight: 326.39
• CAS Registry Number: 79548-61-1
• SMILES: [C@@H]13[C@](C2=C(C(=O)C1)C(=C(C=C2)C(C)C)O)(CCC4=C3COC4=O)C
• InChI: 1S/C20H22O4/c1-10(2)11-4-5-14-17(18(11)22)16(21)8-15-13-9-24-19(23)12(13)6-7-20(14,15)3/h4-5,10,15,22H,6-9H2,1-3H3/t15-,20+/m1/s1
• InChIKey: MHZZHUMKOAYLPH-QRWLVFNGSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 555.669°C at 760 mmHg (Cal.)
• Flash point: 201.557°C (Cal.)