| SpectraBase Compound ID | Bf30rMq50HB |
|---|---|
| InChI | InChI=1S/C45H50O23/c1-20-38(62-26(7)51)40(63-27(8)52)43(64-28(9)53)45(57-20)68-41-39(67-37(54)15-11-29-10-13-31(58-22(3)47)33(16-29)60-24(5)49)36(19-55-21(2)46)66-44-42(41)65-35(18-56-44)30-12-14-32(59-23(4)48)34(17-30)61-25(6)50/h10-17,20,35-36,38-45H,18-19H2,1-9H3/b15-11+/t20-,35+,36+,38-,39+,40+,41-,42+,43+,44+,45-/m0/s1 |
| InChIKey | IVVCFKDAJAZALJ-BVJPNOEXSA-N |
| Mol Weight | 958.9 g/mol |
| Molecular Formula | C45H50O23 |
| Exact Mass | 958.274288 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 | FOKYcVRz1RD |
|---|---|
| Name | CRENATOSIDE-PERACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H50O23 |
| InChI | InChI=1S/C45H50O23/c1-20-38(62-26(7)51)40(63-27(8)52)43(64-28(9)53)45(57-20)68-41-39(67-37(54)15-11-29-10-13-31(58-22(3)47)33(16-29)60-24(5)49)36(19-55-21(2)46)66-44-42(41)65-35(18-56-44)30-12-14-32(59-23(4)48)34(17-30)61-25(6)50/h10-17,20,35-36,38-45H,18-19H2,1-9H3/b15-11+/t20-,35+,36+,38-,39+,40+,41-,42+,43+,44+,45-/m0/s1 |
| InChIKey | IVVCFKDAJAZALJ-BVJPNOEXSA-N |
| Literature Reference Author | M.S.AFIFI,M.F.LAHLOUB,S.A.EL-KHAYAAT,C.G.ANKLIN,H.RUEGGER,O. STICHER |
| Literature Reference Citation | PLANTA.MED.,59,359(1993) |
| Literature Reference DOI | 10.1055/s-2006-959701 |
| Molecular Weight | 958.878 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP476 |