| SpectraBase Compound ID | 6mryDduAAfm |
|---|---|
| InChI | InChI=1S/C56H82O19/c1-12-30(2)49(60)71-34(6)54(62)24-25-56(64)52(54,8)40(73-41(57)19-18-35-16-14-13-15-17-35)28-39-51(7)21-20-36(29-53(51,61)22-23-55(39,56)63)72-42-26-37(65-9)46(32(4)68-42)74-43-27-38(66-10)47(33(5)69-43)75-50-45(59)48(67-11)44(58)31(3)70-50/h12-19,22-23,31-34,36-40,42-48,50,58-59,61-64H,20-21,24-29H2,1-11H3/b19-18+,30-12+/t31-,32-,33+,34-,36+,37+,38+,39-,40-,42+,43-,44-,45-,46-,47+,48+,50+,51-,52-,53+,54-,55+,56-/m1/s1 |
| InChIKey | NLBPQUJBWQRBPF-HOUJXGOWSA-N |
| Mol Weight | 1059.3 g/mol |
| Molecular Formula | C56H82O19 |
| Exact Mass | 1058.54503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K2a1bNsWb00 |
|---|---|
| Name | STEPHANOSIDE_K;12-O-CINNAMOYL-20-O-(E)-2-METHYL-2-BUTENOYL-(20-S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTAOL_3-O-BETA-THE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H82O19 |
| InChI | InChI=1S/C56H82O19/c1-12-30(2)49(60)71-34(6)54(62)24-25-56(64)52(54,8)40(73-41(57)19-18-35-16-14-13-15-17-35)28-39-51(7)21-20-36(29-53(51,61)22-23-55(39,56)63)72-42-26-37(65-9)46(32(4)68-42)74-43-27-38(66-10)47(33(5)69-43)75-50-45(59)48(67-11)44(58)31(3)70-50/h12-19,22-23,31-34,36-40,42-48,50,58-59,61-64H,20-21,24-29H2,1-11H3/b19-18+,30-12+/t31-,32-,33+,34-,36+,37+,38+,39-,40-,42+,43-,44-,45-,46-,47+,48+,50+,51-,52-,53+,54-,55+,56-/m1/s1 |
| InChIKey | NLBPQUJBWQRBPF-HOUJXGOWSA-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 | 1059.256 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ17364 |