| SpectraBase Compound ID | 8kFihP4dDjW |
|---|---|
| InChI | InChI=1S/C44H70O15/c1-20-29(47)30(48)33(51)37(56-20)55-19-44-23(16-39(3,4)18-28(44)57-21(2)45)22-10-11-25-41(7)14-13-27(58-38-34(52)31(49)32(50)35(59-38)36(53)54)40(5,6)24(41)12-15-42(25,8)43(22,9)17-26(44)46/h10,20,23-35,37-38,46-52H,11-19H2,1-9H3,(H,53,54)/t20-,23+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35+,37+,38-,41+,42-,43-,44+/m1/s1 |
| InChIKey | KDXSYGCLDPLGBO-QVUXBXSSSA-N |
| Mol Weight | 839.0 g/mol |
| Molecular Formula | C44H70O15 |
| Exact Mass | 838.471472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eachxFDVxc |
|---|---|
| Name | ALTERNOSIDE-IV;CHICHIPEGENIN-22-O-ACETYL-3-O-BETA-D-GLUCURONOPYRANOSYL-28-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O15 |
| InChI | InChI=1S/C44H70O15/c1-20-29(47)30(48)33(51)37(56-20)55-19-44-23(16-39(3,4)18-28(44)57-21(2)45)22-10-11-25-41(7)14-13-27(58-38-34(52)31(49)32(50)35(59-38)36(53)54)40(5,6)24(41)12-15-42(25,8)43(22,9)17-26(44)46/h10,20,23-35,37-38,46-52H,11-19H2,1-9H3,(H,53,54)/t20-,23+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35+,37+,38-,41+,42-,43-,44+/m1/s1 |
| InChIKey | KDXSYGCLDPLGBO-QVUXBXSSSA-N |
| Literature Reference Author | K.YOSHIKAWA,H.OGATA,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1102(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1102 |
| Molecular Weight | 839.031 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6570 |