| SpectraBase Compound ID | KKYp2L35DyS |
|---|---|
| InChI | InChI=1S/C59H96O26/c1-22-33(64)36(67)40(71)49(77-22)82-45-29(62)20-76-48(43(45)74)81-44-25(4)80-50(42(73)39(44)70)83-46-38(69)35(66)24(3)79-52(46)85-53(75)59-16-15-54(5,6)17-27(59)26-11-12-31-55(7)18-28(61)47(84-51-41(72)37(68)34(65)23(2)78-51)56(8,21-60)30(55)13-14-57(31,9)58(26,10)19-32(59)63/h11,22-25,27-52,60-74H,12-21H2,1-10H3/t22-,23+,24-,25+,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+,55+,56+,57-,58-,59-/m1/s1 |
| InChIKey | GFGWLAXJMCZYEJ-QYHUQHNXSA-N |
| Mol Weight | 1221.4 g/mol |
| Molecular Formula | C59H96O26 |
| Exact Mass | 1220.618983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eEFxM3BdPM |
|---|---|
| Name | BERNARDIOSIDE-C4;BELLISSAPONIN-BS1 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O26 |
| InChI | InChI=1S/C59H96O26/c1-22-33(64)36(67)40(71)49(77-22)82-45-29(62)20-76-48(43(45)74)81-44-25(4)80-50(42(73)39(44)70)83-46-38(69)35(66)24(3)79-52(46)85-53(75)59-16-15-54(5,6)17-27(59)26-11-12-31-55(7)18-28(61)47(84-51-41(72)37(68)34(65)23(2)78-51)56(8,21-60)30(55)13-14-57(31,9)58(26,10)19-32(59)63/h11,22-25,27-52,60-74H,12-21H2,1-10H3/t22-,23+,24-,25+,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+,55+,56+,57-,58-,59-/m1/s1 |
| InChIKey | GFGWLAXJMCZYEJ-QYHUQHNXSA-N |
| Literature Reference Author | T.SCHOEPKE,H.THIELE,K.HILLER,V.WRAY,M.NIMTZ |
| Literature Reference Citation | J.NAT.PROD.,59,939(1996) |
| Literature Reference DOI | 10.1021/np960400t |
| Molecular Weight | 1221.396 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP746 |