| SpectraBase Compound ID | 1TdLeEKhSrf |
|---|---|
| InChI | InChI=1S/C32H46O6/c1-17(15-33)18(2)27(36)28(37)20(4)26-24(38-21(5)34)14-30(7)25-9-8-22-19(3)23(35)10-11-31(22)16-32(25,31)13-12-29(26,30)6/h10-11,17,19-20,22,24-26,28,33,37H,2,8-9,12-16H2,1,3-7H3/t17-,19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1 |
| InChIKey | ZBJCSWVKUJLAAQ-SXJDHWIHSA-N |
| Mol Weight | 526.7 g/mol |
| Molecular Formula | C32H46O6 |
| Exact Mass | 526.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lrdudQnUV0 |
|---|---|
| Name | 22-DE-O-ACETYLNEOBOUTOMELLERONE;16-O-ACETYL-26-HYDROXY-29-NOR-24-METHYLCYCLOART-1,24-(24A)-DIENE-3,23-DIONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O6 |
| InChI | InChI=1S/C32H46O6/c1-17(15-33)18(2)27(36)28(37)20(4)26-24(38-21(5)34)14-30(7)25-9-8-22-19(3)23(35)10-11-31(22)16-32(25,31)13-12-29(26,30)6/h10-11,17,19-20,22,24-26,28,33,37H,2,8-9,12-16H2,1,3-7H3/t17-,19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1 |
| InChIKey | ZBJCSWVKUJLAAQ-SXJDHWIHSA-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 | 526.714 g/mol |
| Sample ID | 39712 |
| Solvent | CDCl3 |