| SpectraBase Compound ID | AysBHWxeAqe |
|---|---|
| InChI | InChI=1S/C38H45NO9/c1-39-20-35(21-43-2)16-15-26(45-4)38-25-19-36(42)17-18-37(28(31(38)39)29(46-5)30(35)38,48-34(41)23-11-13-24(44-3)14-12-23)27(25)32(36)47-33(40)22-9-7-6-8-10-22/h6-14,17-18,25-32,42H,15-16,19-21H2,1-5H3/t25-,26+,27-,28+,29+,30-,31?,32-,35+,36-,37-,38+/m1/s1 |
| InChIKey | JFVQAEZQVXJTGR-HPBOUJSXSA-N |
| Mol Weight | 659.8 g/mol |
| Molecular Formula | C38H45NO9 |
| Exact Mass | 659.309432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3LrExrReb4 |
|---|---|
| Name | 16-DEMETHOXY-15,16-DIDEHYDRO-8-P-ANISYL-14-BENZOYLDELPHONINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H45NO9 |
| InChI | InChI=1S/C38H45NO9/c1-39-20-35(21-43-2)16-15-26(45-4)38-25-19-36(42)17-18-37(28(31(38)39)29(46-5)30(35)38,48-34(41)23-11-13-24(44-3)14-12-23)27(25)32(36)47-33(40)22-9-7-6-8-10-22/h6-14,17-18,25-32,42H,15-16,19-21H2,1-5H3/t25-,26+,27-,28+,29+,30-,31?,32-,35+,36-,37-,38+/m1/s1 |
| InChIKey | JFVQAEZQVXJTGR-HPBOUJSXSA-N |
| Literature Reference Author | H.K.DESAI,B.P.HART,R.W.CALDWELL,J.HUANG,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,61,743(1998) |
| Literature Reference DOI | 10.1021/np970499j |
| Molecular Weight | 659.777 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2171 |