| SpectraBase Compound ID | IoXtazBM002 |
|---|---|
| InChI | InChI=1S/C52H79NO17/c1-27-44(55)36(60-9)23-42(63-27)69-46-29(3)65-43(25-38(46)62-11)70-45-28(2)64-41(24-37(45)61-10)68-33-17-18-48(6)32(22-33)16-19-51(58)39(48)26-40(67-31(5)54)49(7)50(57,20-21-52(49,51)59)30(4)66-47(56)34-14-12-13-15-35(34)53-8/h12-16,27-30,33,36-46,53,55,57-59H,17-26H2,1-11H3/t27-,28-,29+,30+,33+,36-,37+,38-,39-,40-,41+,42+,43-,44-,45-,46+,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | STINGQFIWKDTRJ-FBKXXHAASA-N |
| Mol Weight | 990.2 g/mol |
| Molecular Formula | C52H79NO17 |
| Exact Mass | 989.5348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKB0kYn5g1A |
|---|---|
| Name | STEPHANOSIDE_D;12-O-ACETYL-20-O-(N-METHYL)-ANTHRANILOYLSARCOSTIN_3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BET |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H79NO17 |
| InChI | InChI=1S/C52H79NO17/c1-27-44(55)36(60-9)23-42(63-27)69-46-29(3)65-43(25-38(46)62-11)70-45-28(2)64-41(24-37(45)61-10)68-33-17-18-48(6)32(22-33)16-19-51(58)39(48)26-40(67-31(5)54)49(7)50(57,20-21-52(49,51)59)30(4)66-47(56)34-14-12-13-15-35(34)53-8/h12-16,27-30,33,36-46,53,55,57-59H,17-26H2,1-11H3/t27-,28-,29+,30+,33+,36-,37+,38-,39-,40-,41+,42+,43-,44-,45-,46+,48+,49-,50-,51+,52-/m1/s1 |
| InChIKey | STINGQFIWKDTRJ-FBKXXHAASA-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 | 990.196 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19569 |