Neoalsoside A
[CAS# 143452-01-1]

Identification

• Name: Neoalsoside A
• Synonyms: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[(10R,12S,14R)-12-Hydroxy-17-[(2S,4S,5S)-4-Hydroxy-5-(1-Hydroxy-1-Methyl-Ethyl)-2-Methyl-Tetrahydrofuran-2-Yl]-4,4,6,10,14-Pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-6-(Hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-3,4,5-Triol; (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[(10R,12S,14R)-12-Hydroxy-17-[(2S,4S,5S)-4-Hydroxy-5-(1-Hydroxy-1-Methylethyl)-2-Methyl-2-Tetrahydrofuranyl]-4,4,6,10,14-Pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-6-(Hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-6-Methyltetrahydropyran-3,4,5-Triol; (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-[(10R,12S,14R)-12-Hydroxy-17-[(2S,4S,5S)-4-Hydroxy-5-(1-Hydroxy-1-Methyl-Ethyl)-2-Methyl-Tetrahydrofuran-2-Yl]-4,4,6,10,14-Pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-6-Methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-6-Methyl-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₄₈H₈₂O₁₈
• Molecular Weight: 947.17
• CAS Registry Number: 143452-01-1
• SMILES: [C@]45(C(C(C([C@@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)CO)O[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C)CC4)(C)C)C(CC6C5C[C@H](O)C7[C@@]6(CCC7[C@]8(O[C@@H]([C@@H](O)C8)C(O)(C)C)C)C)C)C
• InChI: 1S/C48H82O18/c1-19-15-23-24(16-25(50)29-22(11-13-45(23,29)8)47(10)17-26(51)39(65-47)44(6,7)60)46(9)14-12-28(43(4,5)38(19)46)48(66-42-37(59)34(56)31(53)21(3)62-42)40(35(57)32(54)27(18-49)64-48)63-41-36(58)33(55)30(52)20(2)61-41/h19-42,49-60H,11-18H2,1-10H3/t19?,20-,21-,22?,23?,24?,25-,26-,27+,28?,29?,30-,31-,32+,33+,34+,35-,36+,37+,38?,39-,40+,41-,42-,45+,46+,47-,48+/m0/s1
• InChIKey: PKPZGKIGQKTIPZ-NZYAALCUSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 1012.991°C at 760 mmHg (Cal.)
• Flash point: 566.437°C (Cal.)