| SpectraBase Compound ID | 47qYg9i1uoW |
|---|---|
| InChI | InChI=1S/C44H74O16/c1-20(46)55-19-25-31(50)33(52)35(59-37-34(53)32(51)30(49)24(18-45)57-37)38(58-25)56-23-17-43(8)26(41(6)13-11-27(48)39(2,3)36(23)41)16-22(47)29-21(10-14-42(29,43)7)44(9)15-12-28(60-44)40(4,5)54/h21-38,45,47-54H,10-19H2,1-9H3/t21?,22-,23+,24+,25+,26?,27+,28-,29?,30+,31+,32-,33-,34+,35+,36?,37-,38+,41-,42-,43-,44-/m1/s1 |
| InChIKey | JUWQATWMWQLTDL-QJGVPBPCSA-N |
| Mol Weight | 859.1 g/mol |
| Molecular Formula | C44H74O16 |
| Exact Mass | 858.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfFnnSKUisg |
|---|---|
| Name | YESANCHINOSIDE-A;6-O-BETA-D-GLUCOPYRANOSYL-(1->2)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-20(S),24(S)-EPOXYDAMMARANE-3-BETA,6-ALPHA,12-BETA,25-TETROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H74O16 |
| InChI | InChI=1S/C44H74O16/c1-20(46)55-19-25-31(50)33(52)35(59-37-34(53)32(51)30(49)24(18-45)57-37)38(58-25)56-23-17-43(8)26(41(6)13-11-27(48)39(2,3)36(23)41)16-22(47)29-21(10-14-42(29,43)7)44(9)15-12-28(60-44)40(4,5)54/h21-38,45,47-54H,10-19H2,1-9H3/t21?,22-,23+,24+,25+,26?,27+,28-,29?,30+,31+,32-,33-,34+,35+,36?,37-,38+,41-,42-,43-,44-/m1/s1 |
| InChIKey | JUWQATWMWQLTDL-QJGVPBPCSA-N |
| Literature Reference Author | K.ZOU,S.ZHU,C.TOHDA,S.CAI,K.KOMATSU |
| Literature Reference Citation | J.NAT.PROD.,65,346(2002) |
| Literature Reference DOI | 10.1021/np010354j |
| Molecular Weight | 859.062 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4055 |