| SpectraBase Compound ID | GSSeI4Mlo9z |
|---|---|
| InChI | InChI=1S/C46H71BrN10O13/c1-9-12-34(59)51-29(15-18-33(48)58)40(62)55-37-25(6)70-45(67)36(23(3)4)54-41(63)31(22-26-14-17-32(69-8)27(47)21-26)56(7)44(66)38(24(5)10-2)57-35(60)19-16-30(43(57)65)53-39(61)28(52-42(37)64)13-11-20-50-46(49)68/h14,17,21,23-25,28-31,35-38,60H,9-13,15-16,18-20,22H2,1-8H3,(H2,48,58)(H,51,59)(H,52,64)(H,53,61)(H,54,63)(H,55,62)(H3,49,50,68)/t24-,25+,28-,29-,30-,31-,35+,36-,37-,38-/m0/s1 |
| InChIKey | XFQCUAOQRAZAJB-APLIVAFESA-N |
| Mol Weight | 1052.0 g/mol |
| Molecular Formula | C46H71BrN10O13 |
| Exact Mass | 1050.438545 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 | GBkWIvp8zLa |
|---|---|
| Name | SYMPLOCAMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H71BrN10O13 |
| InChI | InChI=1S/C46H71BrN10O13/c1-9-12-34(59)51-29(15-18-33(48)58)40(62)55-37-25(6)70-45(67)36(23(3)4)54-41(63)31(22-26-14-17-32(69-8)27(47)21-26)56(7)44(66)38(24(5)10-2)57-35(60)19-16-30(43(57)65)53-39(61)28(52-42(37)64)13-11-20-50-46(49)68/h14,17,21,23-25,28-31,35-38,60H,9-13,15-16,18-20,22H2,1-8H3,(H2,48,58)(H,51,59)(H,52,64)(H,53,61)(H,54,63)(H,55,62)(H3,49,50,68)/t24-,25+,28-,29-,30-,31-,35+,36-,37-,38-/m0/s1 |
| InChIKey | XFQCUAOQRAZAJB-APLIVAFESA-N |
| Literature Reference Author | R.G.LININGTON,D.J.EDWARDS,C.F.SHUMAN,K.L.MCPHAIL,T.MATAINAHO ,W.H.GERWICK |
| Literature Reference Citation | J.NAT.PROD.,71,22(2008) |
| Literature Reference DOI | 10.1021/np070280x |
| Molecular Weight | 1052.033 g/mol |
| Sample ID | 27087 |
| Solvent | DMSO-D6 |