| SpectraBase Compound ID | ImOseNmDQE2 |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-21-31(58)34(61)38(65)45(69-21)74-42-26(55)17-49(6)28(50(42,7)20-54)12-13-51(8)29(49)11-10-24-25-16-48(4,5)14-15-53(25,30(57)18-52(24,51)9)47(67)75-46-41(35(62)32(59)22(2)70-46)73-44-39(66)36(63)40(23(3)71-44)72-43-37(64)33(60)27(56)19-68-43/h10,21-23,25-46,54-66H,11-20H2,1-9H3/t21-,22+,23-,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | JDDNPFYPOOCZHR-HGOMWPDLSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOwR44vdvw5 |
|---|---|
| Name | BESYSAPONIN-C12 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-21-31(58)34(61)38(65)45(69-21)74-42-26(55)17-49(6)28(50(42,7)20-54)12-13-51(8)29(49)11-10-24-25-16-48(4,5)14-15-53(25,30(57)18-52(24,51)9)47(67)75-46-41(35(62)32(59)22(2)70-46)73-44-39(66)36(63)40(23(3)71-44)72-43-37(64)33(60)27(56)19-68-43/h10,21-23,25-46,54-66H,11-20H2,1-9H3/t21-,22+,23-,25-,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | JDDNPFYPOOCZHR-HGOMWPDLSA-N |
| Literature Reference Author | T.SCHOEPKE,K.HILLER,V.WRAY,M.NIMTZ,K.YAMASAKI,R.KASAI |
| Literature Reference Citation | J.NAT.PROD.,59,355(1996) |
| Literature Reference DOI | 10.1021/np9600715 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP2387 |