| SpectraBase Compound ID | KHwdLFVNAsB |
|---|---|
| InChI | InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-25-30-35-40-45(48)41-36-31-26-20-17-15-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,15,17,34,36,39,41,44-49H,7-14,16,18-33,35,40H2/b6-5-,17-15-,39-34+,41-36+/t44-,45?,46-/m0/s1 |
| InChIKey | QGGNXNCVFAAWBQ-GCXPQEBYSA-N |
| Mol Weight | 671.1 g/mol |
| Molecular Formula | C46H70O3 |
| Exact Mass | 670.532496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ROfEuL3LjF |
|---|---|
| Name | PETROCORTYNE_H |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H70O3 |
| InChI | InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-25-30-35-40-45(48)41-36-31-26-20-17-15-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,15,17,34,36,39,41,44-49H,7-14,16,18-33,35,40H2/b6-5-,17-15-,39-34+,41-36+/t44-,45?,46-/m0/s1 |
| InChIKey | QGGNXNCVFAAWBQ-GCXPQEBYSA-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 | 671.060 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ956 |