| SpectraBase Compound ID | GLecy99mPTx |
|---|---|
| InChI | InChI=1S/C42H70O28/c1-8-29-15(43)22(50)36(57-8)65-30-9(2)59-38(24(52)17(30)45)67-32-11(4)61-40(26(54)19(32)47)69-34-13(6)63-42(28(56)21(34)49)70-35-14(7)62-41(27(55)20(35)48)68-33-12(5)60-39(25(53)18(33)46)66-31-10(3)58-37(64-29)23(51)16(31)44/h8-56H,1-7H3/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | NQCRYFLLWUWEES-NVCODYORSA-N |
| Mol Weight | 1023.0 g/mol |
| Molecular Formula | C42H70O28 |
| Exact Mass | 1022.405362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwNoi0iAi0j |
|---|---|
| Name | ISO-BETA-CYClOAWAODORIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O28 |
| InChI | InChI=1S/C42H70O28/c1-8-29-15(43)22(50)36(57-8)65-30-9(2)59-38(24(52)17(30)45)67-32-11(4)61-40(26(54)19(32)47)69-34-13(6)63-42(28(56)21(34)49)70-35-14(7)62-41(27(55)20(35)48)68-33-12(5)60-39(25(53)18(33)46)66-31-10(3)58-37(64-29)23(51)16(31)44/h8-56H,1-7H3/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | NQCRYFLLWUWEES-NVCODYORSA-N |
| Literature Reference Author | M.NISHIZAWA,H.IMAGAWA,I.HYODO,Y.KAN,H.YAMADA |
| Literature Reference Citation | HETEROCYCLES,44,71(1997) |
| Literature Reference DOI | 10.3987/COM-96-S9 |
| Molecular Weight | 1023.001 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ1376 |