Hovenidulcioside B1
[CAS# 174902-16-0]

Identification

• Name: Hovenidulcioside B1
• Synonyms: [(1S,2R)-2-[(1S,2R,4Ar,4Br,7S,8Ar,10Ar)-7-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4B,8,8,10A-Tetramethyl-2'-Oxo-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)-7-[[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-4B,8,8,10A-Tetramethyl-2'-Oxo-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)-7-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2'-Keto-4B,8,8,10A-Tetramethyl-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: C₄₄H₇₀O₁₆
• Molecular Weight: 855.03
• CAS Registry Number: 174902-16-0
• 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[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)CO
• InChI: 1S/C44H70O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h20-22,24-30,32-37,39-40,45,48-52H,9-19H2,1-8H3/t20-,21-,22+,24+,25-,26+,27-,28+,29-,30+,32+,33-,34-,35+,36-,37-,39+,40+,42+,43-,44+/m1/s1
• InChIKey: CMTXBVHDOWHMEA-AGGDBPHMSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 948.164°C at 760 mmHg (Cal.)
• Flash point: 275.036°C (Cal.)