| SpectraBase Compound ID | Aai5nrU1Khv |
|---|---|
| InChI | InChI=1S/C36H50O8/c1-19(17-42-23(5)37)20(2)31(41)32(44-25(7)39)22(4)30-28(43-24(6)38)16-34(9)29-11-10-26-21(3)27(40)12-13-35(26)18-36(29,35)15-14-33(30,34)8/h12-13,19,21-22,26,28-30,32H,2,10-11,14-18H2,1,3-9H3/t19-,21-,22-,26-,28-,29-,30-,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | ZYOYWQGOCXYURL-IZSFGESFSA-N |
| Mol Weight | 610.8 g/mol |
| Molecular Formula | C36H50O8 |
| Exact Mass | 610.350569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1iY0gASy0qS |
|---|---|
| Name | 26-ACETYLNEOBOUTOMELLERONE;16,22,26-TRI-O-ACETYL-26-HYDROXY-29-NOR-24-METHYLCYCLOART-1,24-(24A)-DIENE-3,23-DIONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O8 |
| InChI | InChI=1S/C36H50O8/c1-19(17-42-23(5)37)20(2)31(41)32(44-25(7)39)22(4)30-28(43-24(6)38)16-34(9)29-11-10-26-21(3)27(40)12-13-35(26)18-36(29,35)15-14-33(30,34)8/h12-13,19,21-22,26,28-30,32H,2,10-11,14-18H2,1,3-9H3/t19-,21-,22-,26-,28-,29-,30-,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | ZYOYWQGOCXYURL-IZSFGESFSA-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 | 610.788 g/mol |
| Sample ID | 39713 |
| Solvent | CD3CN |