| SpectraBase Compound ID | LWovuouUvGi |
|---|---|
| InChI | InChI=1S/C57H79NO19/c1-31-45(60)49(69-9)46(61)51(72-31)77-48-33(3)71-44(27-39(48)68-8)76-47-32(2)70-43(26-38(47)67-7)74-37-19-20-52(5)40-28-41(75-42(59)18-17-35-14-11-10-12-15-35)53(6)55(64,34(4)73-50(62)36-16-13-25-58-30-36)23-24-57(53,66)56(40,65)22-21-54(52,63)29-37/h10-18,21-22,25,30-34,37-41,43-49,51,60-61,63-66H,19-20,23-24,26-29H2,1-9H3/b18-17+/t31-,32-,33+,34-,37+,38+,39-,40-,41-,43+,44-,45-,46-,47-,48+,49+,51+,52-,53-,54+,55-,56+,57-/m1/s1 |
| InChIKey | FLLGLCWIZCEXOS-MJAZYLPESA-N |
| Mol Weight | 1082.2 g/mol |
| Molecular Formula | C57H79NO19 |
| Exact Mass | 1081.524629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oOd5OyPAXw |
|---|---|
| Name | STEPHANOSIDE_N;12-O-CINNAMOYL-20-O-NICOTINOYL-(20-S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL_3-O-BETA-THEVETOPYRANOSYL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H79NO19 |
| InChI | InChI=1S/C57H79NO19/c1-31-45(60)49(69-9)46(61)51(72-31)77-48-33(3)71-44(27-39(48)68-8)76-47-32(2)70-43(26-38(47)67-7)74-37-19-20-52(5)40-28-41(75-42(59)18-17-35-14-11-10-12-15-35)53(6)55(64,34(4)73-50(62)36-16-13-25-58-30-36)23-24-57(53,66)56(40,65)22-21-54(52,63)29-37/h10-18,21-22,25,30-34,37-41,43-49,51,60-61,63-66H,19-20,23-24,26-29H2,1-9H3/b18-17+/t31-,32-,33+,34-,37+,38+,39-,40-,41-,43+,44-,45-,46-,47-,48+,49+,51+,52-,53-,54+,55-,56+,57-/m1/s1 |
| InChIKey | FLLGLCWIZCEXOS-MJAZYLPESA-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 | 1082.250 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17367 |