(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27S,28S)-22,28-Diethyl-7,11,14,15-Tetrahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,16,29-Octamethylspiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Oxane]-3,3',9,13-Tetrone
[CAS# 125616-18-4]

Identification

• Name: (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27S,28S)-22,28-Diethyl-7,11,14,15-Tetrahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,16,29-Octamethylspiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Oxane]-3,3',9,13-Tetrone
• Synonyms: (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27S,28S)-22,28-Diethyl-7,11,14,15-Tetrahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,16,29-Octamethyl-Spiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,3',9,13-Tetrone; (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27S,28S)-22,28-Diethyl-7,11,14,15-Tetrahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,16,29-Octamethylspiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,3',9,13-Tetrone; (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27S,28S)-22,28-Diethyl-7,11,14,15-Tetrahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,16,29-Octamethyl-Spiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,3',9,13-Diquinone
• Molecular Formula: C₄₆H₇₄O₁₂
• Molecular Weight: 819.08
• CAS Registry Number: 125616-18-4
• SMILES: [C@@]23(O[C@@H]1C([C@@H](OC(=O)\C=C\[C@@H]([C@@H](O)[C@@H](C(=O)[C@@H]([C@@H](O)[C@@H](C(=O)[C@](O)([C@@H](O)[C@@H](C/C=C\C=C/[C@@H](CC1)CC)C)C)C)C)C)C)[C@@H]2CC)C)O[C@H]([C@H](CC3=O)C)C[C@H](O)C
• InChI: 1S/C46H74O12/c1-12-33-18-16-14-15-17-26(4)43(53)45(11,55)44(54)32(10)41(52)31(9)40(51)30(8)39(50)25(3)19-22-38(49)56-42-29(7)35(21-20-33)57-46(34(42)13-2)37(48)23-27(5)36(58-46)24-28(6)47/h14-16,18-19,22,25-36,39,41-43,47,50,52-53,55H,12-13,17,20-21,23-24H2,1-11H3/b15-14-,18-16-,22-19+/t25-,26+,27-,28+,29?,30-,31-,32-,33-,34-,35-,36-,39+,41+,42+,43-,45+,46+/m0/s1
• InChIKey: VVNFPMGPKYNROA-MZRZIRKFSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 918.218°C at 760 mmHg (Cal.)
• Flash point: 260.583°C (Cal.)