| SpectraBase Compound ID | EOpY7dKwey8 |
|---|---|
| InChI | InChI=1S/C41H68O14/c1-35(2)24(53-33-29(49)26(46)21(45)17-51-33)9-11-41-18-40(41)13-12-37(5)32(20(44)15-38(37,6)23(40)14-19(43)31(35)41)39(7)10-8-25(54-39)36(3,4)55-34-30(50)28(48)27(47)22(16-42)52-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1 |
| InChIKey | MSSYPWFHLFBMMP-BQAOMNQWSA-N |
| Mol Weight | 785.0 g/mol |
| Molecular Formula | C41H68O14 |
| Exact Mass | 784.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFCrOAquFOR |
|---|---|
| Name | ISOASTRAGALOSIDE-4;3-O-BETA-D-XYLOPYRANOSYL-25-O-BETA-D-GLUCOPYRANOSYL-CYCLOASTRAGENOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H68O14 |
| InChI | InChI=1S/C41H68O14/c1-35(2)24(53-33-29(49)26(46)21(45)17-51-33)9-11-41-18-40(41)13-12-37(5)32(20(44)15-38(37,6)23(40)14-19(43)31(35)41)39(7)10-8-25(54-39)36(3,4)55-34-30(50)28(48)27(47)22(16-42)52-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1 |
| InChIKey | MSSYPWFHLFBMMP-BQAOMNQWSA-N |
| Literature Reference Author | Z.Q.HE,J.A.FINDLAY |
| Literature Reference Citation | J.NAT.PROD.,54,810(1991) |
| Literature Reference DOI | 10.1021/np50075a009 |
| Molecular Weight | 784.983 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS5308 |