| SpectraBase Compound ID | 39Exe8Zn5zw |
|---|---|
| InChI | InChI=1S/C45H80O24/c1-7-15-23(16-13-11-9-8-10-12-14-17-25(47)59-6)64-45-40(31(53)27(49)20(3)61-45)69-42-35(57)32(54)37(21(4)62-42)66-44-36(58)39(68-43-34(56)30(52)28(50)24(18-46)65-43)38(22(5)63-44)67-41-33(55)29(51)26(48)19(2)60-41/h19-24,26-46,48-58H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | OXRCMYDROBPQGP-XNSDWIPASA-N |
| Mol Weight | 1005.1 g/mol |
| Molecular Formula | C45H80O24 |
| Exact Mass | 1004.503953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SMmhaqNhQK |
|---|---|
| Name | MULTIFIDINIC-ACID-A-METHYLESTER |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80O24 |
| InChI | InChI=1S/C45H80O24/c1-7-15-23(16-13-11-9-8-10-12-14-17-25(47)59-6)64-45-40(31(53)27(49)20(3)61-45)69-42-35(57)32(54)37(21(4)62-42)66-44-36(58)39(68-43-34(56)30(52)28(50)24(18-46)65-43)38(22(5)63-44)67-41-33(55)29(51)26(48)19(2)60-41/h19-24,26-46,48-58H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | OXRCMYDROBPQGP-XNSDWIPASA-N |
| Literature Reference Author | M.ONO,F.HONDA,A.KARAHASHI,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,1955(1997) |
| Literature Reference DOI | 10.1248/cpb.45.1955 |
| Molecular Weight | 1005.116 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28928 |