| SpectraBase Compound ID | BKzZFOUpIa3 |
|---|---|
| InChI | InChI=1S/C36H60O10/c1-30(2)22(40)8-11-36-17-35(36)13-12-32(5)28(19(39)15-33(32,6)21(35)14-18(38)27(30)36)34(7)10-9-23(45-34)31(3,4)46-29-26(43)25(42)24(41)20(16-37)44-29/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28-,29-,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | JTTHBCWFDWLRQN-FRMZJPPYSA-N |
| Mol Weight | 652.9 g/mol |
| Molecular Formula | C36H60O10 |
| Exact Mass | 652.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2eP7lApmeD8 |
|---|---|
| Name | 25-O-BETA-D-GLUCOPYRANOSYL-CYCLOASTRAGENOL |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60O10 |
| InChI | InChI=1S/C36H60O10/c1-30(2)22(40)8-11-36-17-35(36)13-12-32(5)28(19(39)15-33(32,6)21(35)14-18(38)27(30)36)34(7)10-9-23(45-34)31(3,4)46-29-26(43)25(42)24(41)20(16-37)44-29/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,25-,26+,27-,28-,29-,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | JTTHBCWFDWLRQN-FRMZJPPYSA-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 | 652.866 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS5311 |