| SpectraBase Compound ID | 8NQ1k9gD4S4 |
|---|---|
| InChI | InChI=1S/C41H62O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h21-22,27-38H,9-20H2,1-8H3/t21-,22-,27+,28+,29+,30-,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41+/m0/s1 |
| InChIKey | HQTSFQOSFUBDPX-WQNLTYSGSA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C41H62O12 |
| Exact Mass | 746.424127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLfl11hypRX |
|---|---|
| Name | SMILAGENIN-3-O-ALPHA-D-GLUCOPYRANOSID-TETRAACETAT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O12 |
| InChI | InChI=1S/C41H62O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h21-22,27-38H,9-20H2,1-8H3/t21-,22-,27+,28+,29+,30-,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41+/m0/s1 |
| InChIKey | HQTSFQOSFUBDPX-WQNLTYSGSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR |
| Literature Reference Citation | PHYTOCHEM.,24,2479(1985) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80653-6 |
| Molecular Weight | 746.936 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17134 |