| SpectraBase Compound ID | LGo0SFXFyym |
|---|---|
| InChI | InChI=1S/C51H74O21/c1-3-5-7-9-11-13-16-20-31(55)21-17-15-19-23-38(59)70-48-45(65)47(39-30(26-52)24-32(56)25-33(39)57)67-35(28-54)46(48)71-51-49(72-50-44(64)42(62)40(60)34(27-53)68-50)43(63)41(61)36(69-51)29-66-37(58)22-18-14-12-10-8-6-4-2/h11-20,22-25,31,34-36,40-57,60-65H,3-10,21,26-29H2,1-2H3/b13-11+,14-12+,17-15+,20-16+,22-18+,23-19+/t31?,34-,35-,36+,40+,41-,42+,43-,44-,45+,46-,47+,48-,49+,50+,51-/m1/s1 |
| InChIKey | XRQGNAQBXJWDHO-NZBGRQPGSA-N |
| Mol Weight | 1023.1 g/mol |
| Molecular Formula | C51H74O21 |
| Exact Mass | 1022.472259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fwq2NXreyyb |
|---|---|
| Name | FUSACANDIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H74O21 |
| InChI | InChI=1S/C51H74O21/c1-3-5-7-9-11-13-16-20-31(55)21-17-15-19-23-38(59)70-48-45(65)47(39-30(26-52)24-32(56)25-33(39)57)67-35(28-54)46(48)71-51-49(72-50-44(64)42(62)40(60)34(27-53)68-50)43(63)41(61)36(69-51)29-66-37(58)22-18-14-12-10-8-6-4-2/h11-20,22-25,31,34-36,40-57,60-65H,3-10,21,26-29H2,1-2H3/b13-11+,14-12+,17-15+,20-16+,22-18+,23-19+/t31?,34-,35-,36+,40+,41-,42+,43-,44-,45+,46-,47+,48-,49+,50+,51-/m1/s1 |
| InChIKey | XRQGNAQBXJWDHO-NZBGRQPGSA-N |
| Literature Reference Author | J.E.HOCHLOWSKI,D.N.WHITTERN,A.BUKO,L.ALDER,J.B.MCALPINE |
| Literature Reference Citation | J.ANTIBIOTICS,48,614(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.614 |
| Molecular Weight | 1023.136 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSW389 |