| SpectraBase Compound ID | Aaonb7mKF47 |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)76-42-38(66)34(62)28(20-71-44-39(67)36(64)32(60)26(18-55)73-44)75-47(42)78-48(70)54-14-12-49(2,3)16-24(54)23-8-9-30-50(4)17-25(58)43(77-46-41(69)37(65)33(61)27(19-56)74-46)51(5,21-57)29(50)10-11-53(30,7)52(23,6)13-15-54/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24?,25-,26+,27+,28+,29?,30?,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | YIPIMPSVOUCQBF-FGFYLIJKSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C54H88O24 |
| Exact Mass | 1120.566554 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 | KrknuGYLpt2 |
|---|---|
| Name | BELLISSAPONIN-BS6;3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,23-TRIHYDROXYOLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-RH |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O24 |
| InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)76-42-38(66)34(62)28(20-71-44-39(67)36(64)32(60)26(18-55)73-44)75-47(42)78-48(70)54-14-12-49(2,3)16-24(54)23-8-9-30-50(4)17-25(58)43(77-46-41(69)37(65)33(61)27(19-56)74-46)51(5,21-57)29(50)10-11-53(30,7)52(23,6)13-15-54/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24?,25-,26+,27+,28+,29?,30?,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
| InChIKey | YIPIMPSVOUCQBF-FGFYLIJKSA-N |
| Literature Reference Author | T.SCHOEPKE,C.AL-TAWAHA,V.WRAY,M.NIMTZ,K.HILLER |
| Literature Reference Citation | PHYTOCHEM.,45,125(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00776-5 |
| Molecular Weight | 1121.278 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1227 |