| SpectraBase Compound ID | JHUD9eDOnrs |
|---|---|
| InChI | InChI=1S/C47H84O24/c1-7-8-14-17-25(18-15-12-10-9-11-13-16-19-27(49)61-6)66-47-42(33(55)29(51)22(3)63-47)71-44-37(59)34(56)39(23(4)64-44)68-46-38(60)41(70-45-36(58)32(54)30(52)26(20-48)67-45)40(24(5)65-46)69-43-35(57)31(53)28(50)21(2)62-43/h21-26,28-48,50-60H,7-20H2,1-6H3/t21-,22+,23-,24-,25-,26-,28-,29+,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-,40-,41-,42+,43-,44-,45+,46-,47-/m0/s1 |
| InChIKey | VLFAALNRPIUJNL-PBOJKMBDSA-N |
| Mol Weight | 1033.2 g/mol |
| Molecular Formula | C47H84O24 |
| Exact Mass | 1032.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3guuAKGvRz |
|---|---|
| Name | MULTIFIDINIC-ACID-B-METHYLESTER |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H84O24 |
| InChI | InChI=1S/C47H84O24/c1-7-8-14-17-25(18-15-12-10-9-11-13-16-19-27(49)61-6)66-47-42(33(55)29(51)22(3)63-47)71-44-37(59)34(56)39(23(4)64-44)68-46-38(60)41(70-45-36(58)32(54)30(52)26(20-48)67-45)40(24(5)65-46)69-43-35(57)31(53)28(50)21(2)62-43/h21-26,28-48,50-60H,7-20H2,1-6H3/t21-,22+,23-,24-,25-,26-,28-,29+,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-,40-,41-,42+,43-,44-,45+,46-,47-/m0/s1 |
| InChIKey | VLFAALNRPIUJNL-PBOJKMBDSA-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 | 1033.170 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28929 |