| SpectraBase Compound ID | KvY9sGXEbvY |
|---|---|
| InChI | InChI=1S/C56H94O28/c1-21(19-74-49-43(70)39(66)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-51-45(72)41(68)46(33(18-60)80-51)81-53-48(83-52-44(71)40(67)37(64)31(16-58)78-52)47(38(65)32(17-59)79-53)82-50-42(69)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54+,55+,56-/m1/s1 |
| InChIKey | FJLUJBDSFBGOPL-VBVQRMQKSA-N |
| Mol Weight | 1215.3 g/mol |
| Molecular Formula | C56H94O28 |
| Exact Mass | 1214.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5PUCg7xhX9z |
|---|---|
| Name | PROTO-DEGALACTOTIGONIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H94O28 |
| InChI | InChI=1S/C56H94O28/c1-21(19-74-49-43(70)39(66)36(63)30(15-57)77-49)7-12-56(73)22(2)34-29(84-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)76-51-45(72)41(68)46(33(18-60)80-51)81-53-48(83-52-44(71)40(67)37(64)31(16-58)78-52)47(38(65)32(17-59)79-53)82-50-42(69)35(62)28(61)20-75-50/h21-53,57-73H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54+,55+,56-/m1/s1 |
| InChIKey | FJLUJBDSFBGOPL-VBVQRMQKSA-N |
| Literature Reference Author | S.YAHARA,T.URA,C.SAKAMOTO,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,37,831(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90366-2 |
| Molecular Weight | 1215.346 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23513 |