| SpectraBase Spectrum ID |
E6NNpbUCuo0 |
| Name |
1,3,5:4,7,9-Dimetheno-5H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopenta[d]pyridazine-4,9a(1H,6aH)-dicarboxylic acid, octahydro-2-(phenylthio)-, dimethyl ester, (1.alpha.,2.beta.,3.alpha.,3a.beta.,4.alpha.,5.alpha.,6a.alpha.,7.be ta.,8a.alpha.,9.beta.,9a.alpha.,9b.beta.,10R*,11S*)- |
| CAS Registry Number |
115756-81-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H24N2O4S |
| InChI |
InChI=1S/C24H24N2O4S/c1-29-21(27)23-14-10-8-11-15(14)24(22(28)30-2)17-13-19(26(24)25(23)18(10)11)12(16(17)23)20(13)31-9-6-4-3-5-7-9/h3-7,10-20H,8H2,1-2H3/t10-,11+,12+,13-,14-,15?,16?,17-,18+,19?,20+,23-,24-/m1/s1 |
| InChIKey |
SGWHTMSUFLNBIU-IJJDDCRJSA-N |
| Molecular Weight |
436.526 g/mol |
| SMILES |
[C@]12(N3N4[C@@]([C@]5(C1[C@]1([C@]4([H])[C@]5([H])C1)[H])[H])(C(=O)OC)C1[C@]2([C@]2([C@@](Sc4ccccc4)([C@@]1(C32)[H])[H])[H])[H])C(=O)OC |
| SPLASH |
splash10-004i-7169000000-b17a64f21687a3a3e441 |
| Source of Spectrum |
K-121-1678-8 |
| Synonyms |
Dimethyl (1a.alpha.,2.alpha.,2a.beta.,4.beta.5.beta.,5a.alpha.,6.beta.,8.beta.,8a.alpha.,8b.beta.,9.alpha.,9a.beta.)-2,2a,6,7,8,8a,9,9a-octahydro-1-phenylthio-2,5,9:4,6,8-dimetheno-1H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopenta[d]pyridazine-5,8b(4H,5aH)-dicarboxylate
Dimethyl (2R,4S,5R,6S,7S,10R,12R,13R,15S,16R)-6-(phenylsulfanyl)-1,9-diazaoctacyclo[7.7.0.0(2,12).0(3,7).0(4,10).0(5,8).0(11,15).0(13,16)]hexadecane-2,10-dicarboxylate |
| Wiley ID |
1383492 |
![1,3,5:4,7,9-Dimetheno-5H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopenta[d]pyridazine-4,9a(1H,6aH)-dicarboxylic acid, octahydro-2-(phenylthio)-, dimethyl ester, (1.alpha.,2.beta.,3.alpha.,3a.beta.,4.alpha.,5.alpha.,6a.alpha.,7.be ta.,8a.alpha.,9.beta.,9a.alpha.,9b.beta.,10R*,11S*)-](/api/spectrum/E6NNpbUCuo0/structure.png?h=300&w=458 "1,3,5:4,7,9-Dimetheno-5H-cyclobuta[4,5]pyrrolo[1,2-b]cyclopenta[d]pyridazine-4,9a(1H,6aH)-dicarboxylic acid, octahydro-2-(phenylthio)-, dimethyl ester, (1.alpha.,2.beta.,3.alpha.,3a.beta.,4.alpha.,5.alpha.,6a.alpha.,7.be ta.,8a.alpha.,9.beta.,9a.alpha.,9b.beta.,10R*,11S*)-")
