[(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-4',4',10',13',14'-pentamethyl-17'-[(2R)-6-Methylheptan-2-yl]-11'-oxo-spiro[1,3-dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-3'-yl] ethanoate
[CAS# 56259-20-2]

Identification

• Name: [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-4',4',10',13',14'-pentamethyl-17'-[(2R)-6-Methylheptan-2-yl]-11'-oxo-spiro[1,3-dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-3'-yl] ethanoate
• Synonyms: [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-17'-[(1R)-1,5-Dimethylhexyl]-4',4',10',13',14'-Pentamethyl-11'-Oxo-Spiro[1,3-Dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene]-3'-Yl] Acetate; Acetic Acid [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-17'-[(1R)-1,5-Dimethylhexyl]-4',4',10',13',14'-Pentamethyl-11'-Oxo-3'-Spiro[1,3-Dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene]Yl] Ester; Acetic Acid [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-17'-[(1R)-1,5-Dimethylhexyl]-11'-Keto-4',4',10',13',14'-Pentamethyl-Spiro[1,3-Dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene]-3'-Yl] Ester
• Molecular Formula: C₃₄H₅₆O₃S₂
• Molecular Weight: 576.93
• CAS Registry Number: 56259-20-2
• SMILES: [C@@H]([C@@H]5[C@]4(C)[C@](C)([C@@H]3C1(SCCS1)C[C@@H]2[C@](CC[C@H](OC(C)=O)C2(C)C)([C@H]3C(C4)=O)C)CC5)(C)CCCC(C)C
• InChI: 1S/C34H56O3S2/c1-21(2)11-10-12-22(3)24-13-16-32(8)29-28(25(36)19-33(24,32)9)31(7)15-14-27(37-23(4)35)30(5,6)26(31)20-34(29)38-17-18-39-34/h21-22,24,26-29H,10-20H2,1-9H3/t22-,24-,26+,27+,28+,29-,31+,32+,33-/m1/s1
• InChIKey: LPDXBLLOEUPHNO-HBXSWFQYSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 620.491°C at 760 mmHg (Cal.)
• Flash point: 289.794°C (Cal.)