| SpectraBase Spectrum ID |
8q1VgeWHTo3 |
| Name |
(8S,16S)-16-(4-iodo-2-methyl-buta-1,3-dienyl)-8,10-dimethyl-7,15-dioxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),10,12,18(21)-tetraene-6,14-dione |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H30INO4S |
| InChI |
InChI=1S/C24H30INO4S/c1-17-7-6-10-24(28)30-21(14-18(2)11-12-25)15-22-26-20(16-31-22)8-4-5-9-23(27)29-19(3)13-17/h6-7,10-12,14,16,19,21H,4-5,8-9,13,15H2,1-3H3/t19-,21+/m0/s1 |
| InChIKey |
YTXGJNHDXNMGSC-PZJWPPBQSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201602125 |
| Molecular Weight |
555.471 g/mol |
| Optical Rotation |
[a]D20 = -412.7 (c = 1.0, CHCl3) |
| Quality |
159 |
| Reported Formula |
C24H30NO4SI |
| SMILES |
C1=2N=C(SC2)C[C@@](C=C(C=CI)C)(OC(C=CC=C(C[C@@](OC(CCCC1)=O)(C)[H])C)=O)[H] |
| SPLASH |
splash10-056r-3851960000-98d7796bb7511722a535 |
| Source of Spectrum |
ACI-55-SM10-22 (DOI: 10.1002/anie.201602125) |
| Wiley ID |
1897458 |
![(8S,16S)-16-(4-iodo-2-methyl-buta-1,3-dienyl)-8,10-dimethyl-7,15-dioxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),10,12,18(21)-tetraene-6,14-dione](/api/spectrum/8q1VgeWHTo3/structure.png?h=300&w=458 "(8S,16S)-16-(4-iodo-2-methyl-buta-1,3-dienyl)-8,10-dimethyl-7,15-dioxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),10,12,18(21)-tetraene-6,14-dione")
