Pavezan
[CAS# 102395-75-5]

Identification

• Name: Pavezan
• Synonyms: (2S,3S,4S,5R,6S)-6-[[(3S,4Ar,6Ar,6Bs,8As,11S,12Ar,14Ar,14Bs)-11-Carboxy-4,4,6A,6B,8A,11,14B-Heptamethyl-14-Oxo-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[(1R,2R,3S,4R,5S)-5-Carboxy-2,3,4-Trihydroxy-Cyclohexoxy]-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-Isoquinoline; (2S,3S,4S,5R,6S)-6-[[(3S,4Ar,6Ar,6Bs,8As,11S,12Ar,14Ar,14Bs)-11-Carboxy-4,4,6A,6B,8A,11,14B-Heptamethyl-14-Oxo-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[(1R,2R,3S,4R,5S)-5-Carboxy-2,3,4-Trihydroxycyclohexoxy]-3,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxyisoquinoline; (2S,3S,4S,5R,6S)-6-[[(3S,4Ar,6Ar,6Bs,8As,11S,12Ar,14Ar,14Bs)-11-Carboxy-14-Keto-4,4,6A,6B,8A,11,14B-Heptamethyl-2,3,4A,5,6,7,8,9,10,12,12A,14A-Dodecahydro-1H-Picen-3-Yl]Oxy]-5-[(1R,2R,3S,4R,5S)-5-Carboxy-2,3,4-Trihydroxy-Cyclohexoxy]-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; 6,7-Dimethoxy-1-Veratryl-Isoquinoline
• Molecular Formula: C₆₃H₈₅NO₁₉
• Molecular Weight: 1160.36
• CAS Registry Number: 102395-75-5
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@H]3[C@@](CC2)(CC[C@@](C3)(C(=O)O)C)C)C)(CC[C@@H]7[C@@]4(CC[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](C6)C(=O)O)C(=O)O)C7(C)C)C)C.C8=C9C(=CC(=C8OC)OC)C=CN=C9CC%10=CC(=C(OC)C=C%10)OC
• InChI: 1S/C43H64O15.C20H21NO4/c1-38(2)24-8-11-43(7)33(22(44)17-20-21-18-40(4,37(54)55)13-12-39(21,3)14-15-42(20,43)6)41(24,5)10-9-25(38)57-36-32(30(49)29(48)31(58-36)35(52)53)56-23-16-19(34(50)51)26(45)28(47)27(23)46;1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h17,19,21,23-33,36,45-49H,8-16,18H2,1-7H3,(H,50,51)(H,52,53)(H,54,55);5-8,10-12H,9H2,1-4H3/t19-,21-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33+,36-,39+,40-,41-,42+,43+;/m0./s1
• InChIKey: AJVFRECHHYUSKO-FYSHDTCASA-N

Properties

• Boiling point: 945.8°C at 760 mmHg (Cal.)
• Flash point: 278.5°C (Cal.)