| SpectraBase Compound ID | 9Vy7SeljXto |
|---|---|
| InChI | InChI=1S/C50H80O22/c1-20(17-64-44-40(61)38(59)36(57)31(16-51)68-44)9-12-50(63-6)21(2)33-30(72-50)15-27-25-8-7-23-13-24(52)14-32(49(23,5)26(25)10-11-48(27,33)4)69-47-43(71-46-41(62)37(58)34(55)22(3)67-46)42(29(54)19-66-47)70-45-39(60)35(56)28(53)18-65-45/h7,21-22,24-47,51-62H,1,8-19H2,2-6H3/t21-,22+,24+,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?/m0/s1 |
| InChIKey | KCPKRFGAFUBIBG-PXIZHHFPSA-N |
| Mol Weight | 1033.2 g/mol |
| Molecular Formula | C50H80O22 |
| Exact Mass | 1032.514124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bp9seF9JvZy |
|---|---|
| Name | 26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYLFUROSTA-5,25(27)-DIENE-1-BETA,3-BETA,22-XI,26-TETROL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRA |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O22 |
| InChI | InChI=1S/C50H80O22/c1-20(17-64-44-40(61)38(59)36(57)31(16-51)68-44)9-12-50(63-6)21(2)33-30(72-50)15-27-25-8-7-23-13-24(52)14-32(49(23,5)26(25)10-11-48(27,33)4)69-47-43(71-46-41(62)37(58)34(55)22(3)67-46)42(29(54)19-66-47)70-45-39(60)35(56)28(53)18-65-45/h7,21-22,24-47,51-62H,1,8-19H2,2-6H3/t21-,22+,24+,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?/m0/s1 |
| InChIKey | KCPKRFGAFUBIBG-PXIZHHFPSA-N |
| Literature Reference Author | Y.MIMAKI,Y.TAKAASHI,M.KURODA,Y.SASHIDA,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,42,1609(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00107-0 |
| Molecular Weight | 1033.172 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN3254 |