![(25S)-5-ALPHA-SPIROSTANE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-XYLOPYRANOSIDE](/api/spectrum/Kms7PrUlW9N/structure.png?h=300&w=458 "(25S)-5-ALPHA-SPIROSTANE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-XYLOPYRANOSIDE")
| SpectraBase Compound ID | JKqmjA5FBja |
|---|---|
| InChI | InChI=1S/C43H70O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h18-40,44-51H,6-17H2,1-5H3/t18-,19+,20-,21+,22+,23?,24?,25?,26-,27+,28?,29-,30?,31-,32+,33+,34-,35+,36-,37+,38+,39-,40-,41+,42+,43-/m1/s1 |
| InChIKey | OMRITJGVZGMXPM-KELQNWCISA-N |
| Mol Weight | 843.0 g/mol |
| Molecular Formula | C43H70O16 |
| Exact Mass | 842.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kms7PrUlW9N |
|---|---|
| Name | (25S)-5-ALPHA-SPIROSTANE-1-BETA,3-ALPHA-DIOL-1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H70O16 |
| InChI | InChI=1S/C43H70O16/c1-18-8-11-43(54-15-18)19(2)30-28(59-43)14-25-23-7-6-21-12-22(44)13-29(42(21,5)24(23)9-10-41(25,30)4)56-40-37(58-39-35(51)33(49)31(47)20(3)55-39)36(27(46)17-53-40)57-38-34(50)32(48)26(45)16-52-38/h18-40,44-51H,6-17H2,1-5H3/t18-,19+,20-,21+,22+,23?,24?,25?,26-,27+,28?,29-,30?,31-,32+,33+,34-,35+,36-,37+,38+,39-,40-,41+,42+,43-/m1/s1 |
| InChIKey | OMRITJGVZGMXPM-KELQNWCISA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,Y.TAKAASHI,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,47,79(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00545-1 |
| Molecular Weight | 843.019 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4849 |