| SpectraBase Spectrum ID |
5CKIeDGbcoA |
| Name |
2,5,7-Metheno-1H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopropa[d]pyridazine-2,7a(3H,4aH)-dicarboxylic acid, hexahydro-6-(phenylthio)-, dimethyl ester, (1a.alpha.,2.beta.,4a.beta.,5.alpha.,6.alpha.,6a.beta.,7.alph a.,7a.beta.,7b.alpha.,8R*)- |
| CAS Registry Number |
115796-53-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N2O4S |
| InChI |
InChI=1S/C21H22N2O4S/c1-26-18(24)20-10-8-11(10)21(19(25)27-2)15-13-16(23(21)22-20)12(14(15)20)17(13)28-9-6-4-3-5-7-9/h3-7,10-17,22H,8H2,1-2H3/t10-,11+,12+,13-,14+,15-,16-,17+,20-,21+/m1/s1 |
| InChIKey |
JLBFLDWMTLQYSD-FXZDDOTMSA-N |
| Molecular Weight |
398.477 g/mol |
| SMILES |
N1N2[C@]3([C@@]4([C@]([C@]1(C(=O)OC)[C@]1([C@]5([C@@]2([C@@]([C@@]31[H])([C@]5(Sc1ccccc1)[H])[H])[H])[H])[H])(C4)[H])[H])C(=O)OC |
| SPLASH |
splash10-000i-1490000000-803037d8bb3927df4457 |
| Source of Spectrum |
K-121-1678-4 |
| Synonyms |
(1.alpha.,2.alpha.,2a.beta.,4.alpha.,5.beta.,5a.alpha.,6a.alpha.,6b.beta.,7.alpha.,7a.beta.)-2,2a,6,6a,7,7a-hexahydro-1-phenylthio-2,5,7-metheno-1H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopropa[d]pyridazin-5,6b(4H,5aH)-dicarbonsaure-dimethylester
Dimethyl (1S,2S,4R,5S,6R,7R,10R,11R,13S)-5-(phenylsulfanyl)-8,9-diazahexacyclo[6.5.0.0(2,6).0(3,10).0(4,7).0(11,13)]tridecane-1,10-dicarboxylate |
| Wiley ID |
1368356 |
![2,5,7-Metheno-1H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopropa[d]pyridazine-2,7a(3H,4aH)-dicarboxylic acid, hexahydro-6-(phenylthio)-, dimethyl ester, (1a.alpha.,2.beta.,4a.beta.,5.alpha.,6.alpha.,6a.beta.,7.alph a.,7a.beta.,7b.alpha.,8R*)-](/api/spectrum/5CKIeDGbcoA/structure.png?h=300&w=458 "2,5,7-Metheno-1H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopropa[d]pyridazine-2,7a(3H,4aH)-dicarboxylic acid, hexahydro-6-(phenylthio)-, dimethyl ester, (1a.alpha.,2.beta.,4a.beta.,5.alpha.,6.alpha.,6a.beta.,7.alph a.,7a.beta.,7b.alpha.,8R*)-")
