| SpectraBase Compound ID | 2BWGcCi2LNG |
|---|---|
| InChI | InChI=1S/C35H54O11/c1-17-18-9-10-23-32(4)14-20(37)29(34(6,44)12-8-11-31(2,3)43)33(32,5)15-24(38)35(23,7)19(18)13-21(25(17)39)45-30-28(42)27(41)26(40)22(16-36)46-30/h13,20,22-23,26-30,36-37,39-44H,8-12,14-16H2,1-7H3/t20-,22+,23+,26+,27-,28+,29?,30+,32+,33-,34?,35+/m1/s1 |
| InChIKey | XSNFZTVFBIPISB-ZAQRMTARSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C35H54O11 |
| Exact Mass | 650.366613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80H7lSgPF07 |
|---|---|
| Name | 2-(BETA-D-GLUCOPYRANOSYLOXY)-3,16-ALPHA,20,25-TETRAHYDROXY-29-NORCUCRBITA-1,3,5(10)-TRIENE-11,22-DIONE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H54O11 |
| InChI | InChI=1S/C35H54O11/c1-17-18-9-10-23-32(4)14-20(37)29(34(6,44)12-8-11-31(2,3)43)33(32,5)15-24(38)35(23,7)19(18)13-21(25(17)39)45-30-28(42)27(41)26(40)22(16-36)46-30/h13,20,22-23,26-30,36-37,39-44H,8-12,14-16H2,1-7H3/t20-,22+,23+,26+,27-,28+,29?,30+,32+,33-,34?,35+/m1/s1 |
| InChIKey | XSNFZTVFBIPISB-ZAQRMTARSA-N |
| Literature Reference Author | H.ACHENBACH,R.WAIBEL,U.HEFTER-BUEBL,M.A.CONSTENLA |
| Literature Reference Citation | J.NAT.PROD.,56,1506(1993) |
| Literature Reference DOI | 10.1021/np50099a009 |
| Molecular Weight | 650.807 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPR1992 |