| SpectraBase Compound ID | ArVxByG7cFc |
|---|---|
| InChI | InChI=1S/C59H103N3O18/c1-34(19-14-12-10-11-13-17-26-62(9)58(60)61)27-37(4)55-36(3)20-15-16-22-46(65)38(5)49(68)29-43(64)28-44(78-52(72)32-51(70)71)30-45-31-50(69)56(75)59(77,80-45)33-42(63)21-18-23-47(66)39(6)54(74)41(8)53(73)35(2)24-25-48(67)40(7)57(76)79-55/h10-11,15-16,20,22,24-25,34-50,53-56,63-69,73-75,77H,12-14,17-19,21,23,26-33H2,1-9H3,(H3,60,61)(H,70,71)/b11-10+,20-15+,22-16+,25-24+ |
| InChIKey | RSODTZFJSFMTPQ-NBURPXERSA-N |
| Mol Weight | 1142.5 g/mol |
| Molecular Formula | C59H103N3O18 |
| Exact Mass | 1141.723663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ff8kKVP0f3g |
|---|---|
| Name | Scopafungin |
| CAS Registry Number | 11056-18-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C59H103N3O18 |
| InChI | InChI=1S/C59H103N3O18/c1-34(19-14-12-10-11-13-17-26-62(9)58(60)61)27-37(4)55-36(3)20-15-16-22-46(65)38(5)49(68)29-43(64)28-44(78-52(72)32-51(70)71)30-45-31-50(69)56(75)59(77,80-45)33-42(63)21-18-23-47(66)39(6)54(74)41(8)53(73)35(2)24-25-48(67)40(7)57(76)79-55/h10-11,15-16,20,22,24-25,34-50,53-56,63-69,73-75,77H,12-14,17-19,21,23,26-33H2,1-9H3,(H3,60,61)(H,70,71)/b11-10+,20-15+,22-16+,25-24+ |
| InChIKey | RSODTZFJSFMTPQ-NBURPXERSA-N |
| Instrument Name | Nicolet 300 M |
| Literature Reference | D. Samain, J.C. Cook, K.L. Rinehart, J. Am. Chem. Soc. 104, 4129 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Acetone-D6 |