| SpectraBase Compound ID | FHl7oABE3Yc |
|---|---|
| InChI | InChI=1S/C57H92O26S.Na/c1-22(2)12-11-17-57(10,69)34-14-13-30-29-21-33(32-20-28(83-84(70,71)72)15-18-55(32,8)31(29)16-19-56(30,34)9)78-52-45(68)47(38(61)26(6)75-52)80-54-49(82-51-43(66)40(63)36(59)24(4)74-51)44(67)46(27(7)77-54)79-53-48(41(64)37(60)25(5)76-53)81-50-42(65)39(62)35(58)23(3)73-50;/h12,16,23-30,32-37,39-54,58-60,62-69H,11,13-15,17-21H2,1-10H3,(H,70,71,72);/q;+1/p-1/t23-,24-,25-,26-,27-,28-,29+,30-,32+,33-,34-,35-,36-,37-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51-,52+,53-,54+,55+,56-,57?;/m0./s1 |
| InChIKey | YNCHLPHOWUUODW-WLOGHARUSA-M |
| Mol Weight | 1247.4 g/mol |
| Molecular Formula | C57H91NaO26S |
| Exact Mass | 1246.541698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAXlwC3hIYB |
|---|---|
| Name | OVARIAN-ASTEROSAPONIN-4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H91NaO26S |
| InChI | InChI=1S/C57H92O26S.Na/c1-22(2)12-11-17-57(10,69)34-14-13-30-29-21-33(32-20-28(83-84(70,71)72)15-18-55(32,8)31(29)16-19-56(30,34)9)78-52-45(68)47(38(61)26(6)75-52)80-54-49(82-51-43(66)40(63)36(59)24(4)74-51)44(67)46(27(7)77-54)79-53-48(41(64)37(60)25(5)76-53)81-50-42(65)39(62)35(58)23(3)73-50;/h12,16,23-30,32-37,39-54,58-60,62-69H,11,13-15,17-21H2,1-10H3,(H,70,71,72);/q;+1/p-1/t23-,24-,25-,26-,27-,28-,29+,30-,32+,33-,34-,35-,36-,37-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51-,52+,53-,54+,55+,56-,57?;/m0./s1 |
| InChIKey | YNCHLPHOWUUODW-WLOGHARUSA-M |
| Literature Reference Author | A.J.ROCCATAGLIATA,M.S.MAIER,A.M.SELDES,M.IORIZZI,L.MINALE |
| Literature Reference Citation | J.NAT.PROD.,57,747(1994) |
| Literature Reference DOI | 10.1021/np50108a010 |
| Molecular Weight | 1247.384 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWFP41 |