| SpectraBase Compound ID | Hk7NgL4Bmfp |
|---|---|
| InChI | InChI=1S/C57H86O22/c1-28-47(77-42-25-36(69-8)48(29(2)72-42)78-52-46(64)50(70-9)49(30(3)73-52)79-51-45(63)44(62)43(61)37(27-58)75-51)35(68-7)24-41(71-28)74-34-18-19-53(5)33(23-34)17-20-56(66)38(53)26-39(76-40(60)16-15-32-13-11-10-12-14-32)54(6)55(65,31(4)59)21-22-57(54,56)67/h10-17,28-31,34-39,41-52,58-59,61-67H,18-27H2,1-9H3/b16-15+/t28-,29+,30-,31+,34+,35+,36-,37+,38?,39-,41+,42-,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-/m1/s1 |
| InChIKey | BKDNFSUKSZWGQG-YUBRQXJVSA-N |
| Mol Weight | 1123.3 g/mol |
| Molecular Formula | C57H86O22 |
| Exact Mass | 1122.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6Xz3dnRZeJ |
|---|---|
| Name | MARSTOMENTOSIDE-S;PENUPOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSID |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H86O22 |
| InChI | InChI=1S/C57H86O22/c1-28-47(77-42-25-36(69-8)48(29(2)72-42)78-52-46(64)50(70-9)49(30(3)73-52)79-51-45(63)44(62)43(61)37(27-58)75-51)35(68-7)24-41(71-28)74-34-18-19-53(5)33(23-34)17-20-56(66)38(53)26-39(76-40(60)16-15-32-13-11-10-12-14-32)54(6)55(65,31(4)59)21-22-57(54,56)67/h10-17,28-31,34-39,41-52,58-59,61-67H,18-27H2,1-9H3/b16-15+/t28-,29+,30-,31+,34+,35+,36-,37+,38?,39-,41+,42-,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-/m1/s1 |
| InChIKey | BKDNFSUKSZWGQG-YUBRQXJVSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,K.HONDA,N.HAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,154(2000) |
| Literature Reference DOI | 10.1248/cpb.48.154 |
| Molecular Weight | 1123.297 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4889 |