| SpectraBase Compound ID | iJVHIWn0Y1 |
|---|---|
| InChI | InChI=1S/C33H48O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,6,8,25,27-28,30,32,34H,3-5,7,9,11,13-24,26H2,(H,35,36)/b8-6-,27-25-,30-28+/t32-/m0/s1 |
| InChIKey | ZMWNVWAZCHBCGO-FXZSKSRQSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C33H48O3 |
| Exact Mass | 492.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7E4h2PWEaXj |
|---|---|
| Name | (-)-PETROSYNOIC_ACID_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O3 |
| InChI | InChI=1S/C33H48O3/c1-2-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36/h1,6,8,25,27-28,30,32,34H,3-5,7,9,11,13-24,26H2,(H,35,36)/b8-6-,27-25-,30-28+/t32-/m0/s1 |
| InChIKey | ZMWNVWAZCHBCGO-FXZSKSRQSA-N |
| Literature Reference Author | E.J.MEJIA,L.B.MAGRANET,N.J.DEVOOGD,K.TENDYKE,D.QIU,Y.Y.SHEN, Z.ZHOU,P.CREWS |
| Literature Reference Citation | J.NAT.PROD.,76,425(2013) |
| Literature Reference DOI | 10.1021/np3008446 |
| Molecular Weight | 492.742 g/mol |
| Sample ID | 42304 |
| Solvent | CD3OD |