| SpectraBase Compound ID | 5lxegno8kzZ |
|---|---|
| InChI | InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/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 | QMNWISYXSJWHRY-SQAOMKRVSA-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 | BTrPC6Fuog3 |
|---|---|
| Name | ASTRAGALOSIDE-4;3-O-BETA-D-XYLOPYRANOSYL-6-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(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/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 | QMNWISYXSJWHRY-SQAOMKRVSA-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 | UWCS5309 |