Pavoninin 1
[CAS# 94426-01-4]

Identification

• Name: Pavoninin 1
• Synonyms: [(2R,6R)-6-[(7S,8R,9R,10R,13R,14R,17R)-7-[(2R,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptyl] Acetate; Acetic Ac
• Molecular Formula: C₃₇H₅₉NO₉
• Molecular Weight: 661.87
• CAS Registry Number: 94426-01-4
• SMILES: [C@@H]24[C@@H]1[C@@]([C@H](CC1)[C@@H](CCC[C@H](COC(=O)C)C)C)(CC[C@H]2[C@@]3(C(=CC(=O)CC3)C[C@@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)C)C
• InChI: 1S/C37H59NO9/c1-20(19-45-23(4)41)8-7-9-21(2)26-10-11-27-31-28(13-15-37(26,27)6)36(5)14-12-25(42)16-24(36)17-29(31)46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35/h16,20-21,26-35,39,43-44H,7-15,17-19H2,1-6H3,(H,38,40)/t20-,21-,26-,27-,28-,29+,30-,31-,32-,33
• InChIKey: BRNQQEJYQPMDNG-NDMFOUGWSA-N