| SpectraBase Compound ID | AAkoW0vTqB2 |
|---|---|
| InChI | InChI=1S/C45H64O17/c1-3-5-6-7-8-9-14-19-30(49)20-15-12-17-22-36(54)60-44-40(57)43(37-28(25-46)23-31(50)24-32(37)51)59-34(26-47)42(44)62-45-39(56)38(55)41(61-45)33(52)27-58-35(53)21-16-11-10-13-18-29(48)4-2/h8-12,14-17,19,21-24,29-30,33-34,38-52,55-57H,3-7,13,18,20,25-27H2,1-2H3/b9-8+,11-10-,15-12+,19-14+,21-16+,22-17+/t29?,30?,33?,34-,38+,39+,40+,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | AITGLGGTCUZVAC-KIJWKNLISA-N |
| Mol Weight | 877.0 g/mol |
| Molecular Formula | C45H64O17 |
| Exact Mass | 876.414351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ex5Zfpxz4vb |
|---|---|
| Name | FURANOCANDIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H64O17 |
| InChI | InChI=1S/C45H64O17/c1-3-5-6-7-8-9-14-19-30(49)20-15-12-17-22-36(54)60-44-40(57)43(37-28(25-46)23-31(50)24-32(37)51)59-34(26-47)42(44)62-45-39(56)38(55)41(61-45)33(52)27-58-35(53)21-16-11-10-13-18-29(48)4-2/h8-12,14-17,19,21-24,29-30,33-34,38-52,55-57H,3-7,13,18,20,25-27H2,1-2H3/b9-8+,11-10-,15-12+,19-14+,21-16+,22-17+/t29?,30?,33?,34-,38+,39+,40+,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | AITGLGGTCUZVAC-KIJWKNLISA-N |
| Literature Reference Author | E.MAGOME,K.HARIMAYA,S.GOMI,M.KOYAMA,N.CHIBA,K.OTA,T.MIKAWA |
| Literature Reference Citation | J.ANTIBIOTICS,49,599(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.599 |
| Molecular Weight | 876.993 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWGE2027 |