| SpectraBase Compound ID | CmVjp4mIFCV |
|---|---|
| InChI | InChI=1S/C57H94O28/c1-21(20-75-50-42(69)40(67)36(63)30(16-58)78-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)77-54-49(84-51-43(70)39(66)35(62)23(3)76-51)45(72)47(33(19-61)81-54)82-53-46(73)48(38(65)32(18-60)80-53)83-52-44(71)41(68)37(64)31(17-59)79-52/h6,21-23,25-54,58-74H,7-20H2,1-5H3/t21-,22-,23-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,53-,54+,55?,56?,57?/m0/s1 |
| InChIKey | GJVYYBVWPSQRTC-ZUOLIYCFSA-N |
| Mol Weight | 1227.4 g/mol |
| Molecular Formula | C57H94O28 |
| Exact Mass | 1226.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TPmLuLMf8f |
|---|---|
| Name | #31;TRIGONEOSIDE-XIIIA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-FUROST-5-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H94O28 |
| InChI | InChI=1S/C57H94O28/c1-21(20-75-50-42(69)40(67)36(63)30(16-58)78-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)77-54-49(84-51-43(70)39(66)35(62)23(3)76-51)45(72)47(33(19-61)81-54)82-53-46(73)48(38(65)32(18-60)80-53)83-52-44(71)41(68)37(64)31(17-59)79-52/h6,21-23,25-54,58-74H,7-20H2,1-5H3/t21-,22-,23-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,53-,54+,55?,56?,57?/m0/s1 |
| InChIKey | GJVYYBVWPSQRTC-ZUOLIYCFSA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 1227.357 g/mol |
| Sample ID | 968776 |
| Solvent | C5D5N |