Hovenidulcioside B2
[CAS# 174902-17-1]

Identification

• Name: Hovenidulcioside B2
• Synonyms: [(1S,2R)-2-[(1S,2R,4Ar,4Br,7S,8Ar,10Ar)-4B,8,8,10A-Tetramethyl-2'-Oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Spiro[2,3,4,4A,5,6,7,8A,9,10-Decahydrophenanthrene-1,4'-Tetrahydrofuran]-2-Yl]-1-[[(2S,4R)-4-Methyl-5-Oxo-Tetrahydrofuran-2-Yl]Methyl]Propyl] Acetate; Acetic Acid [(1S,2R)-2-[(1S,2R,4Ar,4Br,7S,8Ar,10Ar)-4B,8,8,10A-Tetramethyl-2'-Oxo-7-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Spiro[2,3,4,4A,5,6,7,8A,9,10-Decahydrophenanthrene-1,4'-Tetrahydrofuran]Yl]-1-[[(2S,4R)-4-Methyl-5-Oxo-2-Tetrahydrofuranyl]Methyl]Propyl] Ester; Acetic Acid [(1S,2R)-2-[(1S,2R,4Ar,4Br,7S,8Ar,10Ar)-2'-Keto-4B,8,8,10A-Tetramethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Spiro[2,3,4,4A,5,6,7,8A,9,10-Decahydrophenanthrene-1,4'-Tetrahydrofuran]-2-Yl]-1-[[(2S,4R)-5-Keto-4-Methyl-Tetrahydrofuran-2-Yl]Methyl]Propyl] Ester
• Molecular Formula: C₃₈H₆₀O₁₂
• Molecular Weight: 708.88
• CAS Registry Number: 174902-17-1
• SMILES: [C@@H]1(CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC[C@@H]([C@@]34CC(OC4)=O)[C@H]([C@H](C[C@@H]5C[C@H](C(O5)=O)C)OC(=O)C)C)C)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO
• InChI: 1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3/t19-,20-,22+,23-,24+,25-,26+,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1
• InChIKey: ZWAMUWXPVAELPG-HRVCMFSSSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 827.531°C at 760 mmHg (Cal.)
• Flash point: 248.591°C (Cal.)