| SpectraBase Compound ID | CmXJwwQo6Bx |
|---|---|
| InChI | InChI=1S/C54H86O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h8,22-23,25-47,55-56,58-68H,9-21H2,1-7H3/t23-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | HXHJMYSANBPLAU-CVKGVNMCSA-N |
| Mol Weight | 1103.3 g/mol |
| Molecular Formula | C54H86O23 |
| Exact Mass | 1102.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2d6M2q0UGiW |
|---|---|
| Name | NIPPONOSIDE-C;3-O-BETA-D-GLUCOPYRANOSYL-GYPSOGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O23 |
| InChI | InChI=1S/C54H86O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h8,22-23,25-47,55-56,58-68H,9-21H2,1-7H3/t23-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,50+,51+,52-,53-,54+/m1/s1 |
| InChIKey | HXHJMYSANBPLAU-CVKGVNMCSA-N |
| Literature Reference Author | M.MIYAKOSHI,K.SHIRASUNA,Y.HIRAI,K.SHINGU,S.ISODA,J.SHOJI,Y.I DA,T.SHIMIZU |
| Literature Reference Citation | J.NAT.PROD.,62,445(1999) |
| Literature Reference DOI | 10.1021/np9804334 |
| Molecular Weight | 1103.263 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7887 |