| SpectraBase Compound ID | 54jXqEV49nE |
|---|---|
| InChI | InChI=1S/C51H84O22/c1-20(19-65-46-40(61)38(59)35(56)30(16-52)69-46)6-9-28-21(2)33-29(68-28)15-27-25-8-7-23-14-24(10-12-50(23,4)26(25)11-13-51(27,33)5)67-49-45(73-47-41(62)37(58)34(55)22(3)66-47)43(64)44(32(18-54)71-49)72-48-42(63)39(60)36(57)31(17-53)70-48/h20,22-27,29-49,52-64H,6-19H2,1-5H3/t20?,22-,23?,24-,25?,26?,27?,29?,30-,31+,32+,33?,34-,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-,45+,46-,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | VASXPBMMRNFFNP-JDCVFVABSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C51H84O22 |
| Exact Mass | 1048.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Dvnlkajjo3 |
|---|---|
| Name | TRIBULOSAPONIN-B;26-O-BETA-D-GLUCOPYRANOSYL-(25S)-5-BETA-FUROST-20(22)-EN-3-BETA,26-DIOL-3-O-ALPHA-RHAMNOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O22 |
| InChI | InChI=1S/C51H84O22/c1-20(19-65-46-40(61)38(59)35(56)30(16-52)69-46)6-9-28-21(2)33-29(68-28)15-27-25-8-7-23-14-24(10-12-50(23,4)26(25)11-13-51(27,33)5)67-49-45(73-47-41(62)37(58)34(55)22(3)66-47)43(64)44(32(18-54)71-49)72-48-42(63)39(60)36(57)31(17-53)70-48/h20,22-27,29-49,52-64H,6-19H2,1-5H3/t20?,22-,23?,24-,25?,26?,27?,29?,30-,31+,32+,33?,34-,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-,45+,46-,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | VASXPBMMRNFFNP-JDCVFVABSA-N |
| Literature Reference Author | E.BEDIR,I.A.KHAN |
| Literature Reference Citation | J.NAT.PROD.,63,1699(2000) |
| Literature Reference DOI | 10.1021/np000353b |
| Molecular Weight | 1049.215 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU2371 |