| SpectraBase Compound ID | 7dmhxkIdkhn |
|---|---|
| InChI | InChI=1S/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-58,60-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29?,30?,31+,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,47-,48-,49-,51-,52+,53+,54+,55-/m0/s1 |
| InChIKey | YOSIWGSGLDDTHJ-PNOKGHEISA-N |
| Mol Weight | 1131.3 g/mol |
| Molecular Formula | C55H86O24 |
| Exact Mass | 1130.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3oHpXVeiZFV |
|---|---|
| Name | ISOESCIN-IB |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O24 |
| InChI | InChI=1S/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)60)75-49-41(77-48-38(66)36(64)34(62)28(20-57)74-48)39(67)40(42(78-49)45(69)70)76-47-37(65)35(63)33(61)27(19-56)73-47/h10-11,26-44,47-49,56-58,60-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29?,30?,31+,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,47-,48-,49-,51-,52+,53+,54+,55-/m0/s1 |
| InChIKey | YOSIWGSGLDDTHJ-PNOKGHEISA-N |
| Literature Reference Author | Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1515(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1515 |
| Molecular Weight | 1131.273 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8365 |