| SpectraBase Compound ID | 4sTulcfu5qF |
|---|---|
| InChI | InChI=1S/C51H84O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h20,22-28,30-49,52-63H,7-19H2,1-6H3/t20-,22-,23-,24+,25-,26+,27-,28-,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 | XSABPJDLMOGNHR-XIQRKEELSA-N |
| Mol Weight | 1033.2 g/mol |
| Molecular Formula | C51H84O21 |
| Exact Mass | 1032.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7fqfVTEAZS |
|---|---|
| Name | #71;TRIBULOSAPONIN-A;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25S)-5-BETA-FUROST-20(22)-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL- |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O21 |
| InChI | InChI=1S/C51H84O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49-45(72-48-42(62)38(58)35(55)23(4)66-48)43(63)44(32(18-53)70-49)71-47-41(61)37(57)34(54)22(3)65-47/h20,22-28,30-49,52-63H,7-19H2,1-6H3/t20-,22-,23-,24+,25-,26+,27-,28-,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 | XSABPJDLMOGNHR-XIQRKEELSA-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 | 1033.215 g/mol |
| Sample ID | 968816 |
| Solvent | C5D5N |