| SpectraBase Compound ID | CrTljtngUSI |
|---|---|
| InChI | InChI=1S/C38H48O22/c1-17(39)49-15-29-31(53-20(4)42)34(56-23(7)45)36(58-25(9)47)38(60-29)50-16-30-32(54-21(5)43)33(55-22(6)44)35(57-24(8)46)37(59-30)48-13-12-26-10-11-27(51-18(2)40)28(14-26)52-19(3)41/h10-11,14,29-38H,12-13,15-16H2,1-9H3/t29-,30+,31-,32+,33-,34+,35+,36-,37+,38-/m1/s1 |
| InChIKey | KBSHVJOBRONDFQ-BQYHAPKESA-N |
| Mol Weight | 856.8 g/mol |
| Molecular Formula | C38H48O22 |
| Exact Mass | 856.263723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H5LwPHMHWWL |
|---|---|
| Name | FERRUGINOSIDE-B-NONAACETATE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H48O22 |
| InChI | InChI=1S/C38H48O22/c1-17(39)49-15-29-31(53-20(4)42)34(56-23(7)45)36(58-25(9)47)38(60-29)50-16-30-32(54-21(5)43)33(55-22(6)44)35(57-24(8)46)37(59-30)48-13-12-26-10-11-27(51-18(2)40)28(14-26)52-19(3)41/h10-11,14,29-38H,12-13,15-16H2,1-9H3/t29-,30+,31-,32+,33-,34+,35+,36-,37+,38-/m1/s1 |
| InChIKey | KBSHVJOBRONDFQ-BQYHAPKESA-N |
| Literature Reference Author | I.CALIS,D.TASDEMIR,O.STICHER,S.NISHIBE |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1305(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1305 |
| Molecular Weight | 856.786 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU8266 |