| SpectraBase Compound ID | 8sRQVRhGCxW |
|---|---|
| InChI | InChI=1S/C21H31BrO8/c1-11(5-8-18(29-4)15-9-14(24)6-7-16(15)22)20(12(2)21(27)28)30-19(26)10-17(25)13(3)23/h6-7,9,11-13,17-18,20,23-25H,5,8,10H2,1-4H3,(H,27,28)/t11-,12+,13+,17+,18-,20+/m0/s1 |
| InChIKey | ZMDNPAXGEYVRDA-WVQPDWTRSA-N |
| Mol Weight | 491.38 g/mol |
| Molecular Formula | C21H31BrO8 |
| Exact Mass | 490.120231 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 | DhcmLXQCQZy |
|---|---|
| Name | NHATRANGIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31BrO8 |
| InChI | InChI=1S/C21H31BrO8/c1-11(5-8-18(29-4)15-9-14(24)6-7-16(15)22)20(12(2)21(27)28)30-19(26)10-17(25)13(3)23/h6-7,9,11-13,17-18,20,23-25H,5,8,10H2,1-4H3,(H,27,28)/t11-,12+,13+,17+,18-,20+/m0/s1 |
| InChIKey | ZMDNPAXGEYVRDA-WVQPDWTRSA-N |
| Literature Reference Author | G.E.CHLIPALA,P.H.TRI,N.VANHUNG,A.KRUNIC,S.H.SHIM,D.D.SOEJART O,J.ORJALA |
| Literature Reference Citation | J.NAT.PROD.,73,784(2010) |
| Literature Reference DOI | 10.1021/np100002q |
| Molecular Weight | 491.376 g/mol |
| Sample ID | 35412 |
| Solvent | DMSO-D6 |