Scillarenin
[CAS# 465-22-5]

Identification

• Name: Scillarenin
• Synonyms: 5-[(3S,8R,9S,10R,13R,14S)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Pyranone; Nci60_001895; .Beta.-Scillarenin
• Molecular Formula: C₂₄H₃₂O₄
• Molecular Weight: 384.51
• CAS Registry Number: 465-22-5
• SMILES: [C@H]2(C=C1CC[C@@H]3[C@@H]([C@@]1(C)CC2)CC[C@@]4(C(CC[C@]34O)C5=COC(C=C5)=O)C)O
• InChI: 1S/C24H32O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,13-14,17-20,25,27H,4-5,7-12H2,1-2H3/t17-,18?,19-,20+,22-,23+,24-/m0/s1
• InChIKey: OVUOVMIMOCJILI-GDWHAHJOSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 572.569°C at 760 mmHg (Cal.)
• Flash point: 196.36°C (Cal.)