| SpectraBase Compound ID | 6ZkrS6NmGC |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-21-30(51)36(63-38-34(55)33(54)32(53)25(19-48)61-38)35(56)39(60-21)64-37-31(52)24(49)20-59-40(37)62-29-12-13-44(6)26(43(29,4)5)11-14-45(7)27(44)10-9-22-23-17-42(2,3)15-16-47(23,41(57)58)28(50)18-46(22,45)8/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23?,24+,25+,26?,27?,28-,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39+,40+,44-,45+,46+,47+/m0/s1 |
| InChIKey | YCIBWFKSAZNJMF-DKNLTZHYSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98oWmcjk1vC |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-ECHINOCISTYC-ACID |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-21-30(51)36(63-38-34(55)33(54)32(53)25(19-48)61-38)35(56)39(60-21)64-37-31(52)24(49)20-59-40(37)62-29-12-13-44(6)26(43(29,4)5)11-14-45(7)27(44)10-9-22-23-17-42(2,3)15-16-47(23,41(57)58)28(50)18-46(22,45)8/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23?,24+,25+,26?,27?,28-,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39+,40+,44-,45+,46+,47+/m0/s1 |
| InChIKey | YCIBWFKSAZNJMF-DKNLTZHYSA-N |
| Literature Reference Author | N.DETOMMASI,G.AUTORE,A.BELLINO,A.PINTO,C.PIZZA,R.SORRENTINO, P.VENTURELLA |
| Literature Reference Citation | J.NAT.PROD.,63,308(2000) |
| Literature Reference DOI | 10.1021/np990231n |
| Molecular Weight | 913.110 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU4100 |