[(2S,8S,9R,10R,13R,14S,16S,17R)-2-Acetyloxy-17-[(E,2R)-2,6-Dihydroxy-6-Methyl-3-Oxohept-4-En-2-Yl]-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-16-Yl] Acetate
[CAS# 3520-11-4]

Identification

• Name: [(2S,8S,9R,10R,13R,14S,16S,17R)-2-Acetyloxy-17-[(E,2R)-2,6-Dihydroxy-6-Methyl-3-Oxohept-4-En-2-Yl]-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-16-Yl] Acetate
• Synonyms: [(2S,8S,9R,10R,13R,14S,16S,17R)-2-Acetoxy-17-[(E,1R)-1,5-Dihydroxy-1,5-Dimethyl-2-Oxo-Hex-3-Enyl]-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Acetate; Acetic Acid [(2S,8S,9R,10R,13R,14S,16S,17R)-2-Acetoxy-17-[(E,1R)-1,5-Dihydroxy-1,5-Dimethyl-2-Oxohex-3-Enyl]-4,4,9,13,14-Pentamethyl-3,11-Dioxo-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Ester; Acetic Acid [(2S,8S,9R,10R,13R,14S,16S,17R)-2-Acetoxy-17-[(E,1R)-1,5-Dihydroxy-2-Keto-1,5-Dimethyl-Hex-3-Enyl]-3,11-Diketo-4,4,9,13,14-Pentamethyl-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-16-Yl] Ester
• Molecular Formula: C₃₄H₄₈O₉
• Molecular Weight: 600.75
• CAS Registry Number: 3520-11-4
• SMILES: [C@H]4(C(C(C)(C)C3=CC[C@H]2[C@]1(C)C[C@H](OC(=O)C)[C@H]([C@@](C(\C=C\C(C)(C)O)=O)(C)O)[C@@]1(C)CC([C@]2([C@@H]3C4)C)=O)=O)OC(=O)C
• InChI: 1S/C34H48O9/c1-18(35)42-22-15-21-20(30(5,6)28(22)39)11-12-24-31(7)16-23(43-19(2)36)27(32(31,8)17-26(38)33(21,24)9)34(10,41)25(37)13-14-29(3,4)40/h11,13-14,21-24,27,40-41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23+,24+,27+,31+,32-,33+,34+/m1/s1
• InChIKey: LBTYUHBOOBONKC-YHCBCLHRSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 692.429°C at 760 mmHg (Cal.)
• Flash point: 211.077°C (Cal.)