| SpectraBase Compound ID | 1gemqDortZ2 |
|---|---|
| InChI | InChI=1S/C41H51N3O9/c1-7-43-20-38(21-53-36(46)24-13-9-11-15-28(24)44-22(2)42-27-14-10-8-12-23(27)35(44)45)17-16-30(50-4)40-26-18-25-29(49-3)19-39(47,31(26)32(25)51-5)41(48,37(40)43)34(52-6)33(38)40/h8-15,25-26,29-34,37,47-48H,7,16-21H2,1-6H3/t25-,26?,29+,30+,31?,32+,33?,34+,37+,38-,39-,40+,41-/m1/s1 |
| InChIKey | BLOYLZXKYSEWHH-QFHLUGOZSA-N |
| Mol Weight | 729.9 g/mol |
| Molecular Formula | C41H51N3O9 |
| Exact Mass | 729.36253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jh8hqNAl26z |
|---|---|
| Name | 18-O-2-(2-METHYL-4-OXO-4-H-QUINAZOLINE-3-YL)-BENZOYLLYCOCTONINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H51N3O9 |
| InChI | InChI=1S/C41H51N3O9/c1-7-43-20-38(21-53-36(46)24-13-9-11-15-28(24)44-22(2)42-27-14-10-8-12-23(27)35(44)45)17-16-30(50-4)40-26-18-25-29(49-3)19-39(47,31(26)32(25)51-5)41(48,37(40)43)34(52-6)33(38)40/h8-15,25-26,29-34,37,47-48H,7,16-21H2,1-6H3/t25-,26?,29+,30+,31?,32+,33?,34+,37+,38-,39-,40+,41-/m1/s1 |
| InChIKey | BLOYLZXKYSEWHH-QFHLUGOZSA-N |
| Literature Reference Author | S.H.SHIM,J.S.KIM,K.H.SON,K.H.BAE,S.S.KANG |
| Literature Reference Citation | J.NAT.PROD.,69,400(2006) |
| Literature Reference DOI | 10.1021/np058073p |
| Molecular Weight | 729.871 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18091 |