Hyponine E

CAS Registry Number®

226975-99-1

CAS Name

Hyponine E

Molecular Formula

C45H48N2O19

Molecular Mass

920.86

Cite this Page

Hyponine E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=226975-99-1 (retrieved 2024-11-23) (CAS RN: 226975-99-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H48N2O19/c1-21-22(2)38(52)65-35-33(60-24(4)49)37(62-26(6)51)44(20-58-23(3)48)36(61-25(5)50)32(63-39(53)27-12-9-15-46-18-27)30-34(64-41(55)29-14-11-17-57-29)45(44,43(35,8)56)66-42(30,7)19-59-40(54)28-13-10-16-47-31(21)28/h9-18,21-22,30,32-37,56H,19-20H2,1-8H3/t21?,22?,30-,32-,33+,34-,35+,36-,37+,42+,43+,44-,45+/m1/s1

InChIKey

InChIKey=PMRSIAJYXABCTQ-IWYQQVOHSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]34[C@H](OC(=O)C5=CC=CO5)[C@]([C@@](C)(O3)COC(=O)C=6C(C(C)C(C)C(=O)O[C@]([C@]4(C)O)([C@H](OC(C)=O)[C@@H]1OC(C)=O)[H])=NC=CC6)([C@@H](OC(=O)C=7C=CC=NC7)[C@H]2OC(C)=O)[H]

Canonical SMILES

O=C1OCC2(OC34C(OC(=O)C=5OC=CC5)C2C(OC(=O)C=6C=NC=CC6)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C(C)C(C7=NC=CC=C17)C)C3(O)C)C

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, (8R,9R,10R,11S,12R,13R,14R,15S,20S,21S,22R)-13,14,21-tris(acetyloxy)-12-[(acetyloxy)methyl]-10-[(2-furanylcarbonyl)oxy]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-20-hydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridin-22-yl ester
  • Hyponine E
  • (-)-Hyponine E

CAS INSIGHTSTM
Hourglass and a clock