| SpectraBase Compound ID | HMsITBaRWQR |
|---|---|
| InChI | InChI=1S/C33H50O3/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/h1,25,27-28,30,32,34H,3-5,7,9-24,26H2,(H,35,36)/b27-25-,30-28+/t32-/m0/s1 |
| InChIKey | QEYHXRJGVIQFQH-VGLFVHPZSA-N |
| Mol Weight | 494.8 g/mol |
| Molecular Formula | C33H50O3 |
| Exact Mass | 494.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7N3ZfctZ9Zr |
|---|---|
| Name | (-)-PETROSYNOIC_ACID_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O3 |
| InChI | InChI=1S/C33H50O3/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/h1,25,27-28,30,32,34H,3-5,7,9-24,26H2,(H,35,36)/b27-25-,30-28+/t32-/m0/s1 |
| InChIKey | QEYHXRJGVIQFQH-VGLFVHPZSA-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 | 494.758 g/mol |
| Sample ID | 42303 |
| Solvent | CD3OD |