| SpectraBase Compound ID | 5VaLvIRdfsl |
|---|---|
| InChI | InChI=1S/C52H79NO18/c1-26-41(55)45(63-11)42(56)47(66-26)71-44-28(3)65-40(24-36(44)62-10)70-43-27(2)64-39(23-35(43)61-9)69-32-17-18-48(6)31(22-32)16-19-51(59)37(48)25-38(68-30(5)54)49(7)50(58,20-21-52(49,51)60)29(4)67-46(57)33-14-12-13-15-34(33)53-8/h12-16,26-29,32,35-45,47,53,55-56,58-60H,17-25H2,1-11H3/t26-,27-,28+,29+,32+,35+,36-,37-,38-,39+,40-,41-,42-,43-,44+,45+,47+,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | FUOONZNBYOHCHK-OEKUSKELSA-N |
| Mol Weight | 1006.2 g/mol |
| Molecular Formula | C52H79NO18 |
| Exact Mass | 1005.529715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8cWaCYVd4H |
|---|---|
| Name | STEPHANOSIDE_E;12-O-ACETYL-20-O-(N-METHYL)-ANTHRANILOYLSARCOSTIN_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H79NO18 |
| InChI | InChI=1S/C52H79NO18/c1-26-41(55)45(63-11)42(56)47(66-26)71-44-28(3)65-40(24-36(44)62-10)70-43-27(2)64-39(23-35(43)61-9)69-32-17-18-48(6)31(22-32)16-19-51(59)37(48)25-38(68-30(5)54)49(7)50(58,20-21-52(49,51)60)29(4)67-46(57)33-14-12-13-15-34(33)53-8/h12-16,26-29,32,35-45,47,53,55-56,58-60H,17-25H2,1-11H3/t26-,27-,28+,29+,32+,35+,36-,37-,38-,39+,40-,41-,42-,43-,44+,45+,47+,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | FUOONZNBYOHCHK-OEKUSKELSA-N |
| Literature Reference Author | K.YOSHIKAWA,N.OKADA,Y.KANN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1790(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1790 |
| Molecular Weight | 1006.195 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19570 |