| SpectraBase Compound ID | FD5Md1bEOyq |
|---|---|
| InChI | InChI=1S/C40H42O20/c1-19(41)49-16-32-34(53-21(3)43)35(54-22(4)44)36(55-23(5)45)38(59-32)58-28-12-13-29-31(14-28)50-15-30(33(29)48)26-8-10-27(11-9-26)57-39-37(56-24(6)46)40(18-52-39,60-25(7)47)17-51-20(2)42/h8-15,32,34-39H,16-18H2,1-7H3/t32-,34-,35+,36-,37-,38-,39-,40+/m1/s1 |
| InChIKey | TUFLXOBPXPSUOL-IESSTDQUSA-N |
| Mol Weight | 842.8 g/mol |
| Molecular Formula | C40H42O20 |
| Exact Mass | 842.226944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lSh7SAAbgs |
|---|---|
| Name | NEOBANIN-HEPTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42O20 |
| InChI | InChI=1S/C40H42O20/c1-19(41)49-16-32-34(53-21(3)43)35(54-22(4)44)36(55-23(5)45)38(59-32)58-28-12-13-29-31(14-28)50-15-30(33(29)48)26-8-10-27(11-9-26)57-39-37(56-24(6)46)40(18-52-39,60-25(7)47)17-51-20(2)42/h8-15,32,34-39H,16-18H2,1-7H3/t32-,34-,35+,36-,37-,38-,39-,40+/m1/s1 |
| InChIKey | TUFLXOBPXPSUOL-IESSTDQUSA-N |
| Literature Reference Author | J.C.BREYTENBACH |
| Literature Reference Citation | J.NAT.PROD.,49,1003(1986) |
| Literature Reference DOI | 10.1021/np50048a006 |
| Molecular Weight | 842.761 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17254 |