Stemphone
[CAS# 54854-92-1]

Identification

• Name: Stemphone
• Synonyms: [(E,1S)-1-[(1S)-1-[(3R,4Ar,6Ar,12S,12As,12Br)-12-Hydroxy-3-(1-Hydroxy-1-Methyl-Ethyl)-6A,12B-Dimethyl-8,11-Dioxo-1,2,3,4A,5,6,12,12A-Octahydrochromeno[6,5-B]Chromen-9-Yl]Ethyl]-2-Methyl-But-2-Enyl] Acetate; Acetic Acid [(E,1S)-1-[(1S)-1-[(3R,4Ar,6Ar,12S,12As,12Br)-12-Hydroxy-3-(1-Hydroxy-1-Methylethyl)-6A,12B-Dimethyl-8,11-Dioxo-1,2,3,4A,5,6,12,12A-Octahydrochromeno[6,5-B]Chromen-9-Yl]Ethyl]-2-Methylbut-2-Enyl] Ester; Acetic Acid [(E,1S)-1-[(1S)-1-[(3R,4Ar,6Ar,12S,12As,12Br)-12-Hydroxy-3-(1-Hydroxy-1-Methyl-Ethyl)-8,11-Diketo-6A,12B-Dimethyl-1,2,3,4A,5,6,12,12A-Octahydrochromeno[6,5-B]Chromen-9-Yl]Ethyl]-2-Methyl-But-2-Enyl] Ester
• Molecular Formula: C₃₀H₄₂O₈
• Molecular Weight: 530.66
• CAS Registry Number: 54854-92-1
• SMILES: [C@@]24(OC1=C(C(C=C([C@@H]([C@@H](/C(=C/C)C)OC(=O)C)C)C1=O)=O)[C@H]([C@@H]2[C@@]3([C@H](O[C@H](CC3)C(O)(C)C)CC4)C)O)C
• InChI: 1S/C30H42O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h9,14,16,20-21,24-25,27,34-35H,10-13H2,1-8H3/b15-9+/t16-,20+,21+,24+,25+,27+,29-,30+/m0/s1
• InChIKey: CGFWCZMBHASRBJ-CCZFOCGKSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 652.335°C at 760 mmHg (Cal.)
• Flash point: 206.044°C (Cal.)