Cas no 112571-89-8 (3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-2H-3,9a-methano-1-benzoxepin-4-ylester)

3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-2H-3,9a-methano-1-benzoxepin-4-ylester structure

112571-89-8 structure

Product Name:3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-2H-3,9a-methano-1-benzoxepin-4-ylester

CAS No:112571-89-8

MF:C₄₁H₄₃NO₁₂

MW:741.779632806778

CID:197142

Update Time:2024-03-01

3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-2H-3,9a-methano-1-benzoxepin-4-ylester Chemical and Physical Properties

Names and Identifiers

- 3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-2H-3,9a-methano-1-benzoxepin-4-ylester
- 3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy
- 3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[[(2Z)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-2H-3,9a-methano
- 3-Pyridinecarboxylic acid,10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-ylester, [3R-[3a,4a,5a,5aa,6a(Z
- 3-Pyridinecarboxylicacid,(3R,4R,5S,5aS,6S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[[(2Z)-1-oxo-3-phenyl-2-propenyl]oxy]-2H-3,9a-methano-1-benzoxepin-4-ylester (9CI)
- [3R-[3alpha,4alpha,5alpha,5aalpha,6alpha(E),9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-yl ester 3-pyridinecarboxylic acid
- Triptofordinine A 2
- [3R-[3alpha,4alpha,5alpha,5aalpha,6alpha(Z),9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-yl ester 3-pyridinecarboxylic acid
- Inchi： 1S/C41H43NO12/c1-25(43)49-24-40-30(51-31(45)19-18-27-13-8-6-9-14-27)20-21-39(5,48)41(40)34(50-26(2)44)32(38(3,4)54-41)33(52-37(47)29-17-12-22-42-23-29)35(40)53-36(46)28-15-10-7-11-16-28/h6-19,22-23,30,32-35,48H,20-21,24H2,1-5H3/b19-18+
- InChI Key： HDEHKRKYWFVKMW-VHEBQXMUSA-N
- SMILES： CC(OCC12C(OC(C3C=CC=CC=3)=O)C(OC(C3C=NC=CC=3)=O)C3C(C1(OC3(C)C)C(O)(C)CCC2OC(/C=C/C1C=CC=CC=1)=O)OC(=O)C)=O