| SpectraBase Compound ID | 76V931l7wTe |
|---|---|
| InChI | InChI=1S/C27H31NO10/c1-10-20(30)19(28(3)4)25(35)26(37-10)38-14-7-5-6-11-16(14)24(34)18-17(21(11)31)22(32)12-8-27(2,36)9-13(29)15(12)23(18)33/h5-7,10,13,19-20,25-26,29-30,32-33,35-36H,8-9H2,1-4H3/t10-,13-,19+,20+,25-,26-,27-/m0/s1 |
| InChIKey | QHKOGJYMAOSTLN-UEAQBVAUSA-N |
| Mol Weight | 529.54 g/mol |
| Molecular Formula | C27H31NO10 |
| Exact Mass | 529.194796 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 | 1uW4YXGkmO1 |
|---|---|
| Name | KOMODOQUINONE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31NO10 |
| InChI | InChI=1S/C27H31NO10/c1-10-20(30)19(28(3)4)25(35)26(37-10)38-14-7-5-6-11-16(14)24(34)18-17(21(11)31)22(32)12-8-27(2,36)9-13(29)15(12)23(18)33/h5-7,10,13,19-20,25-26,29-30,32-33,35-36H,8-9H2,1-4H3/t10-,13-,19+,20+,25-,26-,27-/m0/s1 |
| InChIKey | QHKOGJYMAOSTLN-UEAQBVAUSA-N |
| Literature Reference Author | T.ITOH,M.KINOSHITA,S.AOKI,M.KOBAYASHI |
| Literature Reference Citation | J.NAT.PROD.,66,1373(2003) |
| Literature Reference DOI | 10.1021/np030212k |
| Molecular Weight | 529.544 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSP1124 |