![3,10,18,25-Tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12,14,16(37),20,22,27,29,32,34,36(42),38,40-pentadecaene-40-carboxylic acid](/api/spectrum/3x5y9VKZwnC/structure.png?h=300&w=458 "3,10,18,25-Tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12,14,16(37),20,22,27,29,32,34,36(42),38,40-pentadecaene-40-carboxylic acid")
| SpectraBase Compound ID | 2rOq8zQKBiN |
|---|---|
| InChI | InChI=1S/C39H34O2S4/c40-39(41)38-34-8-3-9-35(38)37-32-6-2-7-33(37)25-45-21-29-16-12-27(13-17-29)19-43-23-31-5-1-4-30(36(31)34)22-42-18-26-10-14-28(15-11-26)20-44-24-32/h1-17H,18-25H2,(H,40,41) |
| InChIKey | FKEBVABLWHVCNP-UHFFFAOYSA-N |
| Mol Weight | 662.9 g/mol |
| Molecular Formula | C39H34O2S4 |
| Exact Mass | 662.144165 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3x5y9VKZwnC |
|---|---|
| Name | 3,10,18,25-Tetrathiaheptacyclo[14.14.7.2(5,8).2(20,23).1(32,36).0(12,37).0(27,31)]dotetraconta-1(31),5,7,12,14,16(37),20,22,27,29,32,34,36(42),38,40-pentadecaene-40-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H34O2S4 |
| InChI | InChI=1S/C39H34O2S4/c40-39(41)38-34-8-3-9-35(38)37-32-6-2-7-33(37)25-45-21-29-16-12-27(13-17-29)19-43-23-31-5-1-4-30(36(31)34)22-42-18-26-10-14-28(15-11-26)20-44-24-32/h1-17H,18-25H2,(H,40,41) |
| InChIKey | FKEBVABLWHVCNP-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/cber.19911240225 |
| Molecular Weight | 662.939 g/mol |
| SMILES | OC(c1c-2cccc1-c1c3cccc1CSCc1ccc(cc1)CSCc1cccc(c21)CSCc1ccc(cc1)CSC3)=O |
| SPLASH | splash10-0ik9-0503009000-1fcdb7a95a1c721c7817 |
| Source of Spectrum | K-124-401-12a |
| Wiley ID | 1792160 |