| SpectraBase Compound ID | 6txVHA7AEQn |
|---|---|
| InChI | InChI=1S/C41H60N8O7S/c1-23(2)30-36(53)48-32(40(4,5)6)34(43-22-28(50)49-19-14-17-27(49)35(52)45-30)47-33(41(7,8)9)38(55)46-31(24(3)25-15-12-11-13-16-25)37(54)44-26(21-29(51)56-10)39-42-18-20-57-39/h11-13,15-16,18,20,23-24,26-27,30-33H,14,17,19,21-22H2,1-10H3,(H,43,47)(H,44,54)(H,45,52)(H,46,55)(H,48,53)/t24-,26?,27+,30+,31-,32?,33?/m1/s1 |
| InChIKey | UVHKHTJWCYXSLC-HSPBCRFZSA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C41H60N8O7S |
| Exact Mass | 808.430567 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sFCME9vVd8 |
|---|---|
| Name | BOTTROMYCIN-B2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60N8O7S |
| InChI | InChI=1S/C41H60N8O7S/c1-23(2)30-36(53)48-32(40(4,5)6)34(43-22-28(50)49-19-14-17-27(49)35(52)45-30)47-33(41(7,8)9)38(55)46-31(24(3)25-15-12-11-13-16-25)37(54)44-26(21-29(51)56-10)39-42-18-20-57-39/h11-13,15-16,18,20,23-24,26-27,30-33H,14,17,19,21-22H2,1-10H3,(H,43,47)(H,44,54)(H,45,52)(H,46,55)(H,48,53)/t24-,26?,27+,30+,31-,32?,33?/m1/s1 |
| InChIKey | UVHKHTJWCYXSLC-HSPBCRFZSA-N |
| Literature Reference Author | M.KANEDA |
| Literature Reference Citation | J.ANTIBIOTICS,55,924(2002) |
| Literature Reference DOI | 10.7164/antibiotics.55.924 |
| Molecular Weight | 809.037 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7044 |