| SpectraBase Compound ID | C767KsSY6M4 |
|---|---|
| InChI | InChI=1S/C48H74O21/c1-18-26(51)28(53)32(57)38(64-18)67-35-30(55)27(52)19(2)65-40(35)69-42(63)48-14-13-43(3,4)15-21(48)20-9-10-23-44(5)16-22(49)36(68-39-33(58)29(54)31(56)34(66-39)37(59)60)47(8,41(61)62)24(44)11-12-45(23,6)46(20,7)17-25(48)50/h9,18-19,21-36,38-40,49-58H,10-17H2,1-8H3,(H,59,60)(H,61,62)/t18-,19-,21?,22-,23?,24?,25+,26-,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,38+,39-,40+,44+,45+,46+,47-,48+/m0/s1 |
| InChIKey | FOVJATQXFPGIBQ-IOYSRNJGSA-N |
| Mol Weight | 987.1 g/mol |
| Molecular Formula | C48H74O21 |
| Exact Mass | 986.472259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtiYkf9R5rf |
|---|---|
| Name | #1;ZANHASAPONIN-A;3-O-BETA-D-GLUCURONOPYRANOSYL-2-BETA,16-ALPHA-DIHYDROXYOLEAN-12-ENE-23,28-DIOIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1-2)-ALPHA-L-RHAMNOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O21 |
| InChI | InChI=1S/C48H74O21/c1-18-26(51)28(53)32(57)38(64-18)67-35-30(55)27(52)19(2)65-40(35)69-42(63)48-14-13-43(3,4)15-21(48)20-9-10-23-44(5)16-22(49)36(68-39-33(58)29(54)31(56)34(66-39)37(59)60)47(8,41(61)62)24(44)11-12-45(23,6)46(20,7)17-25(48)50/h9,18-19,21-36,38-40,49-58H,10-17H2,1-8H3,(H,59,60)(H,61,62)/t18-,19-,21?,22-,23?,24?,25+,26-,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,38+,39-,40+,44+,45+,46+,47-,48+/m0/s1 |
| InChIKey | FOVJATQXFPGIBQ-IOYSRNJGSA-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 | 987.103 g/mol |
| Solvent | CD3OD:ACOD=9:1 |
| Source File Reference | UWCP83 |