| SpectraBase Compound ID | 1sNotem8109 |
|---|---|
| InChI | InChI=1S/C34H48O7/c1-18(16-35)19(2)29(39)30(41-23(6)37)21(4)28-26(40-22(5)36)15-32(8)27-10-9-24-20(3)25(38)11-12-33(24)17-34(27,33)14-13-31(28,32)7/h11-12,18,20-21,24,26-28,30,35H,2,9-10,13-17H2,1,3-8H3/t18-,20-,21-,24-,26-,27-,28-,30+,31+,32-,33+,34-/m0/s1 |
| InChIKey | TWPRESPPOZCYON-QDNFKKIJSA-N |
| Mol Weight | 568.8 g/mol |
| Molecular Formula | C34H48O7 |
| Exact Mass | 568.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9fXpmsueqn4 |
|---|---|
| Name | NEOBOUTOMELLERONE;16,22-DI-O-ACETYL-26-HYDROXY-29-NOR-24-METHYLCYCLOART-1,24-(24A)-DIENE-3,23-DIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O7 |
| InChI | InChI=1S/C34H48O7/c1-18(16-35)19(2)29(39)30(41-23(6)37)21(4)28-26(40-22(5)36)15-32(8)27-10-9-24-20(3)25(38)11-12-33(24)17-34(27,33)14-13-31(28,32)7/h11-12,18,20-21,24,26-28,30,35H,2,9-10,13-17H2,1,3-8H3/t18-,20-,21-,24-,26-,27-,28-,30+,31+,32-,33+,34-/m0/s1 |
| InChIKey | TWPRESPPOZCYON-QDNFKKIJSA-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 | 568.751 g/mol |
| Sample ID | 39711 |
| Solvent | CDCl3 |