11alpha,12beta,16-Trihydroxy-2-Methoxypicras-2-En-1-One
[CAS# 30760-22-6]

Identification

• Name: 11alpha,12beta,16-Trihydroxy-2-Methoxypicras-2-En-1-One
• Synonyms: Nigakihemiacetal C; Nsc306400; Phenanthro[10,1-Bc]Pyran-11(1H)-One, 2,3,3A.Beta.,4,5,6A.Beta.,7,7A.Alpha.,8,11A,11B.Alpha.,11C-Dodecahydro-1.Alpha.,2.Beta.,5-Trihydroxy-10-Methoxy-3.Alpha.,8.Alpha.,11A.Beta.,11C.Beta.-Tetramethyl-
• Molecular Formula: C₂₁H₃₂O₆
• Molecular Weight: 380.48
• CAS Registry Number: 30760-22-6
• SMILES: CC12C3C4(C(CC1OC(O)CC2C(C(O)C3O)C)C(C=C(OC)C4=O)C)C
• InChI: 1S/C21H32O6/c1-9-6-13(26-5)19(25)21(4)11(9)7-14-20(3)12(8-15(22)27-14)10(2)16(23)17(24)18(20)21/h6,9-12,14-18,22-24H,7-8H2,1-5H3
• InChIKey: XUBQJRDNLZNZRC-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 541.638°C at 760 mmHg (Cal.)
• Flash point: 186.249°C (Cal.)