22-Hydroxytingenone
[CAS# 50656-68-3]

Identification

• Name: 22-Hydroxytingenone
• Synonyms: (6As,6Bs,8Ar,9S,11R,12As,14Ar)-3,9-Dihydroxy-4,6A,6B,8A,11,14A-Hexamethyl-7,8,9,11,12,12A,13,14-Octahydropicene-2,10-Quinone; 24,25,26,30-Tetranoroleana-1(10),3,5,7-Tetraene-2,21-Dione,3,22-Dihydroxy-9,13-Dimethyl-,(9.Beta.,13.Alpha.,14.Beta,20.Beta.,22.Beta.)-; Aids-058056
• Molecular Formula: C₂₈H₃₆O₄
• Molecular Weight: 436.59
• CAS Registry Number: 50656-68-3
• SMILES: [C@@]24(C1=CC(C(=C(C1=CC=C2[C@]3(CC[C@@]5([C@H]([C@@]3(CC4)C)C[C@H](C(=O)[C@H]5O)C)C)C)C)O)=O)C
• InChI: 1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21-,24-,25+,26-,27-,28+/m1/s1
• InChIKey: QIRUFAFQGKOTKA-ZRWKYKNNSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 643.456°C at 760 mmHg (Cal.)
• Flash point: 356.949°C (Cal.)