| SpectraBase Compound ID | 8NEFqhv5QOy |
|---|---|
| InChI | InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-15,20-23,29-30,32,39,42,44H,16-18H2,1-6H3,(H,38,45)(H,40,46)/b19-15-/t20-,21+,22+,23+,29-,30-,32+/m1/s1 |
| InChIKey | CMRONKDSBQEHJM-PVHGVTJGSA-N |
| Mol Weight | 725.7 g/mol |
| Molecular Formula | C36H45BrN4O7 |
| Exact Mass | 724.247163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CF1mPJWMRcN |
|---|---|
| Name | PIPESTELIDE_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45BrN4O7 |
| InChI | InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-15,20-23,29-30,32,39,42,44H,16-18H2,1-6H3,(H,38,45)(H,40,46)/b19-15-/t20-,21+,22+,23+,29-,30-,32+/m1/s1 |
| InChIKey | CMRONKDSBQEHJM-PVHGVTJGSA-N |
| Literature Reference Author | J.SORRES,M.T.MARTIN,S.PETEK,H.LEVAIQUE,T.CRESTEIL,S.RAMOS,O. THOISON,C.DEBITUS,A. |
| Literature Reference Citation | J.NAT.PROD.,75,759(2012) |
| Literature Reference DOI | 10.1021/np200714m |
| Molecular Weight | 725.680 g/mol |
| Sample ID | 40350 |
| Solvent | CD3OD |