| SpectraBase Compound ID | DRODBTHdEyn |
|---|---|
| InChI | InChI=1S/C66H82F6O7/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-26-31-42-51-58(73)52-43-32-27-22-19-20-23-29-34-45-54-60(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/h1-2,7-8,19,22,36-42,44,47-51,53,59-60H,9-18,20-21,23-35,43,52H2,3-4H3/b8-7-,22-19-,51-42+,53-44+/t59-,60-,63?,64?/m0/s1 |
| InChIKey | BNWSAJIDJFWUJX-GVCCYVORSA-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 | JqGjSqsbFLs |
|---|---|
| Name | 3,14-(S)-ALPHA-METHOXY-ALPHA-(TRIFLUOROMETHYL)-PHENYLACETIC_ACID_DIESTER_OF_PETROCORTYNE_G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H82F6O7 |
| InChI | InChI=1S/C66H82F6O7/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-26-31-42-51-58(73)52-43-32-27-22-19-20-23-29-34-45-54-60(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/h1-2,7-8,19,22,36-42,44,47-51,53,59-60H,9-18,20-21,23-35,43,52H2,3-4H3/b8-7-,22-19-,51-42+,53-44+/t59-,60-,63?,64?/m0/s1 |
| InChIKey | BNWSAJIDJFWUJX-GVCCYVORSA-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 | UWMZ955 |