| SpectraBase Compound ID | Ka6kM6lCKQG |
|---|---|
| InChI | InChI=1S/C53H84O24/c1-21-16-53(42(66)22(2)43(67)76-53)77-52(21)15-14-50(6)25-8-9-29-48(4,24(25)10-13-51(50,52)7)12-11-30(49(29,5)20-55)73-45-39(65)36(62)34(60)28(72-45)19-69-46-40(32(58)26(56)18-68-46)75-47-41(37(63)33(59)27(17-54)71-47)74-44-38(64)35(61)31(57)23(3)70-44/h21-23,26-42,44-47,54-66H,8-20H2,1-7H3/t21-,22-,23+,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,44+,45+,46+,47+,48-,49?,50+,51+,52+,53-/m1/s1 |
| InChIKey | BBOXNRHBNBEQDF-LMAVTTOVSA-N |
| Mol Weight | 1105.2 g/mol |
| Molecular Formula | C53H84O24 |
| Exact Mass | 1104.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AkFzNQGByWc |
|---|---|
| Name | SCILLASAPONIN-D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O24 |
| InChI | InChI=1S/C53H84O24/c1-21-16-53(42(66)22(2)43(67)76-53)77-52(21)15-14-50(6)25-8-9-29-48(4,24(25)10-13-51(50,52)7)12-11-30(49(29,5)20-55)73-45-39(65)36(62)34(60)28(72-45)19-69-46-40(32(58)26(56)18-68-46)75-47-41(37(63)33(59)27(17-54)71-47)74-44-38(64)35(61)31(57)23(3)70-44/h21-23,26-42,44-47,54-66H,8-20H2,1-7H3/t21-,22-,23+,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42+,44+,45+,46+,47+,48-,49?,50+,51+,52+,53-/m1/s1 |
| InChIKey | BBOXNRHBNBEQDF-LMAVTTOVSA-N |
| Literature Reference Author | Y.MIMAKI,S.KUBO,Y.KINOSHITA,Y.SASHIDA,L.G.SONG,T.NIKAIDO,T.O HMOTO |
| Literature Reference Citation | PHYTOCHEM.,34,791(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85361-T |
| Molecular Weight | 1105.236 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6679 |