| SpectraBase Compound ID | GmiSHPUTmqF |
|---|---|
| InChI | InChI=1S/C48H77NO18/c1-21(50)49-32-36(58)35(57)26(20-64-41-38(34(56)25(52)19-63-41)67-40-37(59)33(55)24(51)18-62-40)65-39(32)66-31-12-13-45(6)27(44(31,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)29(53)17-48(23,42(60)61)30(54)16-47(22,46)8/h9,23-41,51-59H,10-20H2,1-8H3,(H,49,50)(H,60,61)/t23-,24+,25-,26+,27?,28?,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1 |
| InChIKey | KMDCNBWPSWPBOL-KCUIQCAPSA-N |
| Mol Weight | 956.1 g/mol |
| Molecular Formula | C48H77NO18 |
| Exact Mass | 955.514065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKxPWnsYckL |
|---|---|
| Name | PROSAPOGENIN-2;3-O-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-BETA-D-2-ACETAMIDO-2-DEOXY-GLUCOPYRANOSYL-ACACIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H77NO18 |
| InChI | InChI=1S/C48H77NO18/c1-21(50)49-32-36(58)35(57)26(20-64-41-38(34(56)25(52)19-63-41)67-40-37(59)33(55)24(51)18-62-40)65-39(32)66-31-12-13-45(6)27(44(31,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)29(53)17-48(23,42(60)61)30(54)16-47(22,46)8/h9,23-41,51-59H,10-20H2,1-8H3,(H,49,50)(H,60,61)/t23-,24+,25-,26+,27?,28?,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1 |
| InChIKey | KMDCNBWPSWPBOL-KCUIQCAPSA-N |
| Literature Reference Author | T.IKEDA,S.FUJIWARA,K.ARAKI,J.KINJO,T.NOHARA,T.MIYOSHI |
| Literature Reference Citation | J.NAT.PROD.,60,102(1997) |
| Literature Reference DOI | 10.1021/np960556t |
| Molecular Weight | 956.135 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP115 |