Methyl (1aR,5S,8S,10R,22aR)-18,19-didehydro-5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-methoxy-3,6-dioxo-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylate

CAS Registry Number®

1425038-23-8
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CAS Name

Methyl (1aR,5S,8S,10R,22aR)-18,19-didehydro-5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-methoxy-3,6-dioxo-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylate

Molecular Formula

C30H36N4O7

Molecular Mass

564.63

Cite this Page

Methyl (1aR,5S,8S,10R,22aR)-18,19-didehydro-5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-methoxy-3,6-dioxo-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1425038-23-8 (retrieved 2024-08-19) (CAS RN: 1425038-23-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H36N4O7/c1-30(2,3)25-27(35)34-16-19(15-23(34)28(36)39-5)40-26-21(31-20-12-11-18(38-4)14-22(20)32-26)10-8-6-7-9-17-13-24(17)41-29(37)33-25/h11-12,14,17,19,23-25H,6-7,9,13,15-16H2,1-5H3,(H,33,37)/t17-,19-,23+,24-,25-/m1/s1

InChIKey

InChIKey=MSLVUDXPWYYXGK-GTFNEXEASA-N

SMILES

C(OC)(=O)[C@H]1N2C[C@@](C1)(OC=3C(=NC=4C(N3)=CC(OC)=CC4)C#CCCC[C@]5([C@](OC(=O)N[C@@H](C(C)(C)C)C2=O)(C5)[H])[H])[H]

Canonical SMILES

O=C1OC2CC2CCCC#CC=3N=C4C=CC(OC)=CC4=NC3OC5CN(C(=O)C(N1)C(C)(C)C)C(C(=O)OC)C5

Other Names for this Substance

  • 8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 18,19-didehydro-5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-methoxy-3,6-dioxo-, methyl ester, (1aR,5S,8S,10R,22aR)-
  • Methyl (1aR,5S,8S,10R,22aR)-18,19-didehydro-5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,20,21,22,22a-dodecahydro-14-methoxy-3,6-dioxo-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylate