| SpectraBase Compound ID | DxpTzPktcJJ |
|---|---|
| InChI | InChI=1S/C50H76O23/c1-19-14-66-50(41(60)33(19)56)20(2)32-30(73-50)13-27-25-8-7-23-11-24(53)12-31(48(23,6)26(25)9-10-47(27,32)5)69-45-40(38(29(55)16-64-45)70-43-35(58)34(57)28(54)15-63-43)72-44-36(59)39(37(21(3)67-44)68-22(4)52)71-46-42(61)49(62,17-51)18-65-46/h7,20-21,24-46,51,53-62H,1,8-18H2,2-6H3/t20-,21+,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 | GABVROJQHMIKLI-AKPWALIUSA-N |
| Mol Weight | 1045.1 g/mol |
| Molecular Formula | C50H76O23 |
| Exact Mass | 1044.477739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Kxgw7UH2Bz |
|---|---|
| Name | (23S,24S)-3-BETA,23,24-TRIHYDROXYSPIROSTA-5,25(27)-DIEN-1-BETA-YL-O-BETA-D-APIOFURANOSYL-(1->3)-O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H76O23 |
| InChI | InChI=1S/C50H76O23/c1-19-14-66-50(41(60)33(19)56)20(2)32-30(73-50)13-27-25-8-7-23-11-24(53)12-31(48(23,6)26(25)9-10-47(27,32)5)69-45-40(38(29(55)16-64-45)70-43-35(58)34(57)28(54)15-63-43)72-44-36(59)39(37(21(3)67-44)68-22(4)52)71-46-42(61)49(62,17-51)18-65-46/h7,20-21,24-46,51,53-62H,1,8-18H2,2-6H3/t20-,21+,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 | GABVROJQHMIKLI-AKPWALIUSA-N |
| Literature Reference Author | K.WATANABE,Y.MIMAKI,H.SAKAGAMI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,66,236(2003) |
| Literature Reference DOI | 10.1021/np0203638 |
| Molecular Weight | 1045.140 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4502 |