| SpectraBase Compound ID | 4N3aq4PDf8X |
|---|---|
| InChI | InChI=1S/C29H40O4/c1-24(2)19-7-10-27(5)22(26(19,4)9-8-21(24)31)18(30)13-16-17-14-25(3)11-12-29(17,23(32)33)20(25)15-28(16,27)6/h13,17,19-20,22H,7-12,14-15H2,1-6H3,(H,32,33)/t17-,19+,20+,22-,25-,26+,27-,28-,29-/m1/s1 |
| InChIKey | OZBFJZOGHNTPKO-NFAQZRMJSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C29H40O4 |
| Exact Mass | 452.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ByMPJySc85 |
|---|---|
| Name | PULVERIC-ACID;3,11-DIOXOPFAFFAN-12-ENE-28-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O4 |
| InChI | InChI=1S/C29H40O4/c1-24(2)19-7-10-27(5)22(26(19,4)9-8-21(24)31)18(30)13-16-17-14-25(3)11-12-29(17,23(32)33)20(25)15-28(16,27)6/h13,17,19-20,22H,7-12,14-15H2,1-6H3,(H,32,33)/t17-,19+,20+,22-,25-,26+,27-,28-,29-/m1/s1 |
| InChIKey | OZBFJZOGHNTPKO-NFAQZRMJSA-N |
| Literature Reference Author | Y.SHIOBARA,S.S.INOUE,Y.NISHIGUCHI,K.KATO,T.TAKEMOTO,N.NISHIM OTO,F.D.OLIVEIRA,G.A |
| Literature Reference Citation | PHYTOCHEM.,31,1737(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83138-O |
| Molecular Weight | 452.634 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6004 |