| SpectraBase Compound ID | 6cONf8w0Rgb |
|---|---|
| InChI | InChI=1S/C66H82F6O7/c1-5-7-8-9-10-11-12-13-14-15-16-18-21-26-31-42-51-58(73)52-43-32-27-22-19-17-20-23-29-34-45-54-60(79-62(75)64(77-4,66(70,71)72)57-49-40-37-41-50-57)55-46-35-30-25-24-28-33-44-53-59(6-2)78-61(74)63(76-3,65(67,68)69)56-47-38-36-39-48-56/h1-2,7-8,17,19,36-41,43-44,47-50,52-53,59-60H,9-16,18,20-35,42,51H2,3-4H3/b8-7-,19-17-,52-43+,53-44+/t59-,60-,63?,64?/m0/s1 |
| InChIKey | JLSGBOUDOOIRIZ-GSBZKRLRSA-N |
| Mol Weight | 1101.4 g/mol |
| Molecular Formula | C66H82F6O7 |
| Exact Mass | 1100.596474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fn2fnJyRTG |
|---|---|
| Name | 3,14-(S)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETIC_ACID_DIESTER_OF_PETROCORTYNE_H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H82F6O7 |
| InChI | InChI=1S/C66H82F6O7/c1-5-7-8-9-10-11-12-13-14-15-16-18-21-26-31-42-51-58(73)52-43-32-27-22-19-17-20-23-29-34-45-54-60(79-62(75)64(77-4,66(70,71)72)57-49-40-37-41-50-57)55-46-35-30-25-24-28-33-44-53-59(6-2)78-61(74)63(76-3,65(67,68)69)56-47-38-36-39-48-56/h1-2,7-8,17,19,36-41,43-44,47-50,52-53,59-60H,9-16,18,20-35,42,51H2,3-4H3/b8-7-,19-17-,52-43+,53-44+/t59-,60-,63?,64?/m0/s1 |
| InChIKey | JLSGBOUDOOIRIZ-GSBZKRLRSA-N |
| Literature Reference Author | J.SHIN,Y.SEO,K.W.CHO |
| Literature Reference Citation | J.NAT.PROD.,61,1268(1998) |
| Literature Reference DOI | 10.1021/np9802015 |
| Molecular Weight | 1101.363 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ957 |