| SpectraBase Compound ID | ER768R7htZd |
|---|---|
| InChI | InChI=1S/C64H91NO21/c1-34-52(67)57(76-11)53(68)59(80-34)86-56-37(4)79-51(31-45(56)75-10)85-55-36(3)78-50(30-44(55)74-9)84-54-35(2)77-49(29-43(54)73-8)82-42-22-23-60(6)41(28-42)21-24-63(71)46(60)32-47(83-48(66)20-19-39-16-13-12-14-17-39)61(7)62(70,25-26-64(61,63)72)38(5)81-58(69)40-18-15-27-65-33-40/h12-21,27,33-38,42-47,49-57,59,67-68,70-72H,22-26,28-32H2,1-11H3/b20-19+/t34-,35+,36-,37+,38-,42-,43-,44+,45+,46+,47+,49-,50+,51-,52-,53-,54+,55-,56+,57+,59+,60-,61+,62+,63-,64+/m0/s1 |
| InChIKey | GYJRFYHBLQYLEU-XIYJQRLJSA-N |
| Mol Weight | 1210.4 g/mol |
| Molecular Formula | C64H91NO21 |
| Exact Mass | 1209.608359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IklL0OWScYA |
|---|---|
| Name | STEPHANOSIDE_F;12-O-CINNAMOYL-20-O-NICOTINOYLSARCOSTIN_3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H91NO21 |
| InChI | InChI=1S/C64H91NO21/c1-34-52(67)57(76-11)53(68)59(80-34)86-56-37(4)79-51(31-45(56)75-10)85-55-36(3)78-50(30-44(55)74-9)84-54-35(2)77-49(29-43(54)73-8)82-42-22-23-60(6)41(28-42)21-24-63(71)46(60)32-47(83-48(66)20-19-39-16-13-12-14-17-39)61(7)62(70,25-26-64(61,63)72)38(5)81-58(69)40-18-15-27-65-33-40/h12-21,27,33-38,42-47,49-57,59,67-68,70-72H,22-26,28-32H2,1-11H3/b20-19+/t34-,35+,36-,37+,38-,42-,43-,44+,45+,46+,47+,49-,50+,51-,52-,53-,54+,55-,56+,57+,59+,60-,61+,62+,63-,64+/m0/s1 |
| InChIKey | GYJRFYHBLQYLEU-XIYJQRLJSA-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 | 1210.421 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19571 |