1-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[2,3-e]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]propan-2-one
[CAS# 131204-29-0]

Identification

• Name: 1-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[2,3-e]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]propan-2-one
• Synonyms: 1-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4As,6R,8Ar)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(2S,3R,6S)-3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl]Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]Propan-2-One; 1-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4As,6R,8Ar)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(2S,3R,6S)-3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl]Butyl]-3-Methylene-2'-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]Yl]-1-Methylprop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]Propan-2-One; 1-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4As,6R,8Ar)-4-Hydroxy-2-[(1S,3S)-1-Hydroxy-3-[(2S,3R,6S)-3-Methyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl]Butyl]-3-Methylene-Spiro[4A,7,8,8A-Tetrahydro-4H-Pyrano[2,3-E]Pyran-6,5'-Tetrahydrofuran]-2'-Yl]-1-Methyl-Prop-2-Enyl]-11-Hydroxy-4-Methyl-1,7-Dioxaspiro[5.5]Undec-4-En-8-Yl]Acetone
• Molecular Formula: C₄₃H₆₆O₁₁
• Molecular Weight: 758.99
• CAS Registry Number: 131204-29-0
• SMILES: [C@@H]45O[C@@]1(O[C@H](CC1)\C=C\[C@H]([C@H]3O[C@]2(O[C@@H](CC[C@H]2O)CC(=O)C)C=C(C3)C)C)CC[C@H]4O[C@@H](C([C@H]5O)=C)[C@@H](O)C[C@@H]([C@H]7O[C@]6(OCCCC6)CC[C@H]7C)C
• InChI: 1S/C43H66O11/c1-25-21-35(52-43(24-25)36(46)12-11-32(51-43)23-29(5)44)26(2)9-10-31-14-18-42(50-31)19-15-34-40(54-42)37(47)30(6)39(49-34)33(45)22-28(4)38-27(3)13-17-41(53-38)16-7-8-20-48-41/h9-10,24,26-28,31-40,45-47H,6-8,11-23H2,1-5H3/b10-9+/t26-,27-,28+,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,41+,42-,43-/m1/s1
• InChIKey: NJOGICJCSWVJKS-SDXZHJKRSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 865.015°C at 760 mmHg (Cal.)
• Flash point: 253.98°C (Cal.)