![(25S)-SPIROST-5-EN-3-BETA,17-ALPHA,27-TRIOL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/AsPIaIRtd7I/structure.png?h=300&w=458 "(25S)-SPIROST-5-EN-3-BETA,17-ALPHA,27-TRIOL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 3BVgZDmd29j |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22+,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1 |
| InChIKey | QRLNYFWBVWUKJA-CDVRQWSTSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsPIaIRtd7I |
|---|---|
| Name | (25S)-SPIROST-5-EN-3-BETA,17-ALPHA,27-TRIOL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22+,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1 |
| InChIKey | QRLNYFWBVWUKJA-CDVRQWSTSA-N |
| Literature Reference Author | Y.JU,Z.J.JIA |
| Literature Reference Citation | PHYTOCHEM.,31,1349(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80288-P |
| Molecular Weight | 901.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN5211 |