| SpectraBase Compound ID | LtcSjCWx54Z |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-21-31(53)34(56)37(64-41-38(35(57)33(55)25(18-48)61-41)63-39-36(58)32(54)24(50)19-59-39)40(60-21)62-30-12-13-44(6)26(43(30,4)5)11-14-45(7)27(44)10-9-22-23-15-42(2,3)28(51)17-47(23,20-49)29(52)16-46(22,45)8/h9-10,21,24-41,48-58H,11-20H2,1-8H3/t21-,24-,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,44+,45-,46-,47-/m1/s1 |
| InChIKey | FPCNNQJWNXTKNP-CYYLFZRTSA-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 | DnrYFmYh9ER |
|---|---|
| Name | #20;BRA-16;3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-3-BETA,16-ALPHA,21-BETA,28-TETRAHYDROXY-OLEAN-11,13(18)-DIENE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-21-31(53)34(56)37(64-41-38(35(57)33(55)25(18-48)61-41)63-39-36(58)32(54)24(50)19-59-39)40(60-21)62-30-12-13-44(6)26(43(30,4)5)11-14-45(7)27(44)10-9-22-23-15-42(2,3)28(51)17-47(23,20-49)29(52)16-46(22,45)8/h9-10,21,24-41,48-58H,11-20H2,1-8H3/t21-,24-,25-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,44+,45-,46-,47-/m1/s1 |
| InChIKey | FPCNNQJWNXTKNP-CYYLFZRTSA-N |
| Literature Reference Author | Y.NAKAHARA,M.OKAWA,J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1329(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1329 |
| Molecular Weight | 913.110 g/mol |
| Source File Reference | UWIR3697 |