| SpectraBase Compound ID | ARn9etGL8tt |
|---|---|
| InChI | InChI=1S/C31H44O5/c1-17(2)14-23(34)27(35)19(4)26-24(36-20(5)32)15-29(7)25-9-8-21-18(3)22(33)10-11-30(21)16-31(25,30)13-12-28(26,29)6/h10-11,14,18-19,21,24-27,35H,8-9,12-13,15-16H2,1-7H3/t18-,19-,21-,24-,25-,26-,27+,28+,29-,30+,31-/m0/s1 |
| InChIKey | LFOGMLHBIASASZ-CNWSIUGMSA-N |
| Mol Weight | 496.7 g/mol |
| Molecular Formula | C31H44O5 |
| Exact Mass | 496.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDlqDLmRNwT |
|---|---|
| Name | 22-DE-O-ACETYL-24A-NOR-24,25-DIDEHYDRO-26-DEOXYNEOBOUTOMELLERONE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O5 |
| InChI | InChI=1S/C31H44O5/c1-17(2)14-23(34)27(35)19(4)26-24(36-20(5)32)15-29(7)25-9-8-21-18(3)22(33)10-11-30(21)16-31(25,30)13-12-28(26,29)6/h10-11,14,18-19,21,24-27,35H,8-9,12-13,15-16H2,1-7H3/t18-,19-,21-,24-,25-,26-,27+,28+,29-,30+,31-/m0/s1 |
| InChIKey | LFOGMLHBIASASZ-CNWSIUGMSA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 496.687 g/mol |
| Sample ID | 39733 |
| Solvent | CD3CN |