| SpectraBase Compound ID | FHKmv6WVrH4 |
|---|---|
| InChI | InChI=1S/C42H51N3O8/c1-7-44-21-40(22-52-39(48)26-13-9-11-15-31(26)45-23(2)43-30-14-10-8-12-25(30)38(45)47)17-16-34(50-5)42-28-18-27-32(49-4)20-41(51-6,29(37(42)44)19-33(40)42)35(28)36(27)53-24(3)46/h8-15,27-29,32-37H,7,16-22H2,1-6H3/t27-,28?,29+,32+,33?,34+,35?,36+,37-,40-,41+,42-/m1/s1 |
| InChIKey | TZKIVQUVCCNCGF-CRMVICTHSA-N |
| Mol Weight | 725.9 g/mol |
| Molecular Formula | C42H51N3O8 |
| Exact Mass | 725.367616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeT40PK8Yjp |
|---|---|
| Name | 14-O-ACETYL-8-O-METHYL-18-O-2-(2-METHYL-4-OXO-4-H-QUINAZOLINE-3-YL)-BENZOYLCAMMACONINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H51N3O8 |
| InChI | InChI=1S/C42H51N3O8/c1-7-44-21-40(22-52-39(48)26-13-9-11-15-31(26)45-23(2)43-30-14-10-8-12-25(30)38(45)47)17-16-34(50-5)42-28-18-27-32(49-4)20-41(51-6,29(37(42)44)19-33(40)42)35(28)36(27)53-24(3)46/h8-15,27-29,32-37H,7,16-22H2,1-6H3/t27-,28?,29+,32+,33?,34+,35?,36+,37-,40-,41+,42-/m1/s1 |
| InChIKey | TZKIVQUVCCNCGF-CRMVICTHSA-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 | 725.882 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18092 |