[(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-8,9-Diacetyloxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-Acetyloxy-4-Methoxy-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-2-[(2S)-2-Methoxy-2-Methyl-5-Oxofuran-3-Yl]-2,4B-Dimethyl-1,3,4,4A,5,8,8A,9,10,10alpha-Decahydrophenanthren-1-Yl] Acetate
[CAS# 135247-54-0]

Identification

• Name: [(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-8,9-Diacetyloxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-Acetyloxy-4-Methoxy-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-2-[(2S)-2-Methoxy-2-Methyl-5-Oxofuran-3-Yl]-2,4B-Dimethyl-1,3,4,4A,5,8,8A,9,10,10alpha-Decahydrophenanthren-1-Yl] Acetate
• Synonyms: [(1R,2R,4As,4Br,8R,8As,9S,10Ar)-8,9-Diacetoxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-Acetoxy-4-Methoxy-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-[(2S)-2-Methoxy-2-Methyl-5-Oxo-3-Furyl]-2,4B-Dimethyl-1,3,4,4A,5,8,8A,9,10,10A-Decahydrophenanthren-1-Yl] Acetate; Acetic Acid [(1R,2R,4As,4Br,8R,8As,9S,10Ar)-8,9-Diacetoxy-7-[[(2S,4S,5R,6S)-5-[[(2S,3R,4R,5R,6S)-3-Acetoxy-4-Methoxy-6-Methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-[(2S)-2-Methoxy-2-Methyl-5-Oxo-3-Furyl]-2,4B-Dimethyl-1,3,4,4A,5,8,8A,9,10,10A-Decahydrophenanthren-1-Yl] Ester; Acetic Acid [(1R,2R,4As,4Br,8R,8As,9S,10Ar)-8,9-Diacetoxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-Acetoxy-4-Methoxy-6-Methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-[(2S)-5-Keto-2-Methoxy-2-Methyl-3-Furyl]-2,4B-Dimethyl-1,3,4,4A,5,8,8A,9,10,10A-Decahydrophenanthren-1-Yl] Ester
• Molecular Formula: C₅₀H₇₄O₂₃
• Molecular Weight: 1043.12
• CAS Registry Number: 135247-54-0
• SMILES: [C@]15([C@H]([C@@H](OC(=O)C)C(=CC1)O[C@@H]4O[C@H]([C@@H](O[C@H]2[C@@H]([C@H](OC)[C@@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)OC(=O)C)[C@H](C4)OC)C)[C@@H](OC(=O)C)C[C@@H]7[C@@H]5CC[C@@](C6=CC(=O)O[C@@]6(OC)C)(C)[C@@H]7OC(=O)C)C
• InChI: 1S/C50H74O23/c1-21-40(71-47-44(67-25(5)54)43(61-11)41(22(2)64-47)72-46-39(59)38(58)37(57)32(20-51)70-46)31(60-10)18-35(63-21)69-29-14-16-48(7)28-13-15-49(8,33-19-34(56)73-50(33,9)62-12)45(68-26(6)55)27(28)17-30(65-23(3)52)36(48)42(29)66-24(4)53/h14,19,21-22,27-28,30-32,35-47,51,57-59H,13,15-18,20H2,1-12H3/t21-,22-,27+,28-,30-,31-,32+,35-,36-,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48+,49+,50-/m0/s1
• InChIKey: FSCPZINTFYRQQD-SDGPZJJRSA-N

Properties

• Density: 1.368g/cm³ (Cal.)
• Boiling point: 998.253°C at 760 mmHg (Cal.)
• Flash point: 276.393°C (Cal.)