| SpectraBase Compound ID | T1dO0uqp6R |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-2-31(34)27-23-19-15-11-7-4-3-5-8-12-16-20-24-28-32(35)29-25-21-17-13-9-6-10-14-18-22-26-30-33(36)37/h1,18,22-24,27-28,31-32,34-35H,3-17,19-21,25,29H2,(H,36,37)/b22-18-,27-23+,28-24+/t31-,32?/m0/s1 |
| InChIKey | WMKMNGSQNVMJIZ-SSDIRBQOSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Hinz2FUnnh |
|---|---|
| Name | (-)-PETROSYNOIC_ACID_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-2-31(34)27-23-19-15-11-7-4-3-5-8-12-16-20-24-28-32(35)29-25-21-17-13-9-6-10-14-18-22-26-30-33(36)37/h1,18,22-24,27-28,31-32,34-35H,3-17,19-21,25,29H2,(H,36,37)/b22-18-,27-23+,28-24+/t31-,32?/m0/s1 |
| InChIKey | WMKMNGSQNVMJIZ-SSDIRBQOSA-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 | 512.773 g/mol |
| Sample ID | 42305 |
| Solvent | CD3OD |