| SpectraBase Compound ID | DdgdZMJ9NVx |
|---|---|
| InChI | InChI=1S/C40H48N4O3/c1-24(45)38-13-6-17-42-19-11-27-26-7-3-4-8-31(26)44(33(27)34(38)42)32(23-38)25-9-10-30-28(21-25)39-16-20-43-18-5-12-37(36(39)43)14-15-40(39,41-30)29(22-37)35(46)47-2/h3-4,7-10,21,24,29,32,34,36,41,45H,5-6,11-20,22-23H2,1-2H3/t24?,29-,32+,34+,36-,37+,38-,39?,40+/m0/s1 |
| InChIKey | NKQJSTGACVZXMS-RTJLMMPVSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C40H48N4O3 |
| Exact Mass | 632.372641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yGlB6YQKYb |
|---|---|
| Name | (+)-KOPSOFFINOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H48N4O3 |
| InChI | InChI=1S/C40H48N4O3/c1-24(45)38-13-6-17-42-19-11-27-26-7-3-4-8-31(26)44(33(27)34(38)42)32(23-38)25-9-10-30-28(21-25)39-16-20-43-18-5-12-37(36(39)43)14-15-40(39,41-30)29(22-37)35(46)47-2/h3-4,7-10,21,24,29,32,34,36,41,45H,5-6,11-20,22-23H2,1-2H3/t24?,29-,32+,34+,36-,37+,38-,39?,40+/m0/s1 |
| InChIKey | NKQJSTGACVZXMS-RTJLMMPVSA-N |
| Literature Reference Author | C.KAN-FAN,T.SEVENET,H.P.HUSSON,K.C.CHAN |
| Literature Reference Citation | J.NAT.PROD.,48,124(1985) |
| Literature Reference DOI | 10.1021/np50037a024 |
| Molecular Weight | 632.846 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3549 |