| SpectraBase Compound ID | 9qnb3prxgJS |
|---|---|
| InChI | InChI=1S/C57H81NO17/c1-31-47(60)51(67-9)48(61)53(70-31)75-50-33(3)69-46(29-42(50)66-8)74-49-32(2)68-45(28-41(49)65-7)72-38-21-22-54(5)37(26-38)18-19-39-40(54)27-43(73-44(59)20-17-35-14-11-10-12-15-35)55(6)56(63,23-24-57(39,55)64)34(4)71-52(62)36-16-13-25-58-30-36/h10-17,20,25,30-34,37-43,45-51,53,60-61,63-64H,18-19,21-24,26-29H2,1-9H3/b20-17+/t31-,32-,33+,34-,37+,38+,39?,40?,41+,42+,43-,45+,46-,47-,48-,49-,50+,51+,53+,54+,55-,56-,57+/m1/s1 |
| InChIKey | FZQUCMSSDACPQV-YHVYSNFGSA-N |
| Mol Weight | 1052.3 g/mol |
| Molecular Formula | C57H81NO17 |
| Exact Mass | 1051.55045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPVtvDRUTwX |
|---|---|
| Name | MARSTOMENTOSIDE-C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H81NO17 |
| InChI | InChI=1S/C57H81NO17/c1-31-47(60)51(67-9)48(61)53(70-31)75-50-33(3)69-46(29-42(50)66-8)74-49-32(2)68-45(28-41(49)65-7)72-38-21-22-54(5)37(26-38)18-19-39-40(54)27-43(73-44(59)20-17-35-14-11-10-12-15-35)55(6)56(63,23-24-57(39,55)64)34(4)71-52(62)36-16-13-25-58-30-36/h10-17,20,25,30-34,37-43,45-51,53,60-61,63-64H,18-19,21-24,26-29H2,1-9H3/b20-17+/t31-,32-,33+,34-,37+,38+,39?,40?,41+,42+,43-,45+,46-,47-,48-,49-,50+,51+,53+,54+,55-,56-,57+/m1/s1 |
| InChIKey | FZQUCMSSDACPQV-YHVYSNFGSA-N |
| Literature Reference Author | F.ABE,H.OKABE,T.YAMAUCHI,K.HONDA,N.HAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,869(1999) |
| Literature Reference DOI | 10.1248/cpb.47.869 |
| Molecular Weight | 1052.267 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8066 |