| SpectraBase Compound ID | CRuke23Offj |
|---|---|
| InChI | InChI=1S/C53H82O25/c1-19-28(57)32(61)38(75-42-35(64)30(59)24(55)18-71-42)44(72-19)76-39-33(62)29(58)20(2)73-45(39)78-47(70)53-14-13-48(3,4)15-22(53)21-9-10-25-49(5)16-23(54)40(77-43-36(65)31(60)34(63)37(74-43)41(66)67)52(8,46(68)69)26(49)11-12-50(25,6)51(21,7)17-27(53)56/h9,19-20,22-40,42-45,54-65H,10-18H2,1-8H3,(H,66,67)(H,68,69)/t19-,20-,22?,23-,24+,25?,26?,27+,28-,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,42-,43-,44+,45+,49+,50+,51+,52-,53+/m0/s1 |
| InChIKey | AOIMXJGQCIOVFI-WVHNQGBSSA-N |
| Mol Weight | 1119.2 g/mol |
| Molecular Formula | C53H82O25 |
| Exact Mass | 1118.514518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YeN8grpUXJ |
|---|---|
| Name | ZAHNASAPONIN-B;3-O-BETA-D-GLUCURONOPYRANOSYL-2-BETA,16-ALPHA-DIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1-2)-ALPHA-L-RHAMNOPYRANOSYL-(1- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O25 |
| InChI | InChI=1S/C53H82O25/c1-19-28(57)32(61)38(75-42-35(64)30(59)24(55)18-71-42)44(72-19)76-39-33(62)29(58)20(2)73-45(39)78-47(70)53-14-13-48(3,4)15-22(53)21-9-10-25-49(5)16-23(54)40(77-43-36(65)31(60)34(63)37(74-43)41(66)67)52(8,46(68)69)26(49)11-12-50(25,6)51(21,7)17-27(53)56/h9,19-20,22-40,42-45,54-65H,10-18H2,1-8H3,(H,66,67)(H,68,69)/t19-,20-,22?,23-,24+,25?,26?,27+,28-,29-,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40-,42-,43-,44+,45+,49+,50+,51+,52-,53+/m0/s1 |
| InChIKey | AOIMXJGQCIOVFI-WVHNQGBSSA-N |
| Literature Reference Author | M.J.CUELLAR,R.M.GINER,M.D.C.RECIO,M.J.JUST,S.MANEZ,J.L.RIOS, A.R.BILIA,J.MSONTHI, |
| Literature Reference Citation | J.NAT.PROD.,60,191(1997) |
| Literature Reference DOI | 10.1021/np960527i |
| Molecular Weight | 1119.219 g/mol |
| Solvent | CD3OD:ACOD=9:1 |
| Source File Reference | UWCP84 |