| SpectraBase Compound ID | 5tb2FYPaVm5 |
|---|---|
| InChI | InChI=1S/C64H91NO22/c1-34-51(67)56(77-11)52(68)58(81-34)87-55-37(4)80-50(30-44(55)76-10)86-54-36(3)79-49(29-43(54)75-9)85-53-35(2)78-48(28-42(53)74-8)83-41-21-22-59(6)45-31-46(84-47(66)20-19-39-16-13-12-14-17-39)60(7)62(71,38(5)82-57(69)40-18-15-27-65-33-40)25-26-64(60,73)63(45,72)24-23-61(59,70)32-41/h12-20,23-24,27,33-38,41-46,48-56,58,67-68,70-73H,21-22,25-26,28-32H2,1-11H3/b20-19+/t34-,35+,36-,37+,38+,41-,42-,43+,44+,45+,46+,48-,49+,50-,51-,52-,53+,54-,55+,56+,58+,59+,60+,61-,62+,63-,64+/m0/s1 |
| InChIKey | XDHZONSYRKVMSG-GTVXLNADSA-N |
| Mol Weight | 1226.4 g/mol |
| Molecular Formula | C64H91NO22 |
| Exact Mass | 1225.603274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17sIqaTHRCF |
|---|---|
| Name | STEPHANOSIDE_P;12-O-CINNAMOYL-20-O-NICOTINOYL-(20-S)-PREGN-6-ENE-3-ETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL_3-O-BETA-THEVETOPYRANOSYL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H91NO22 |
| InChI | InChI=1S/C64H91NO22/c1-34-51(67)56(77-11)52(68)58(81-34)87-55-37(4)80-50(30-44(55)76-10)86-54-36(3)79-49(29-43(54)75-9)85-53-35(2)78-48(28-42(53)74-8)83-41-21-22-59(6)45-31-46(84-47(66)20-19-39-16-13-12-14-17-39)60(7)62(71,38(5)82-57(69)40-18-15-27-65-33-40)25-26-64(60,73)63(45,72)24-23-61(59,70)32-41/h12-20,23-24,27,33-38,41-46,48-56,58,67-68,70-73H,21-22,25-26,28-32H2,1-11H3/b20-19+/t34-,35+,36-,37+,38+,41-,42-,43+,44+,45+,46+,48-,49+,50-,51-,52-,53+,54-,55+,56+,58+,59+,60+,61-,62+,63-,64+/m0/s1 |
| InChIKey | XDHZONSYRKVMSG-GTVXLNADSA-N |
| Literature Reference Author | K.YOSHIKAWA,N.OKADA,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,2243(1996) |
| Literature Reference DOI | 10.1248/cpb.44.2243 |
| Molecular Weight | 1226.420 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17369 |