| SpectraBase Compound ID | IpuvH4TDGH5 |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-7-14(2)11-12-22(20(24)25)16(4)13-19(26-17(5)23)21(6)15(3)9-8-10-18(21)22/h7,9,11,16,18-19H,1,8,10,12-13H2,2-6H3,(H,24,25)/b14-11-/t16-,18+,19+,21+,22-/m1/s1 |
| InChIKey | FYPQSDLATSBJTO-MOAADMRZSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsZ5EKjHqBB |
|---|---|
| Name | HETEROSCYPHIC-ACID-B;(12Z)-6-ACETOXY-5,10-TRANS-CLERODA-3,12,14-TRIEN-20-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-7-14(2)11-12-22(20(24)25)16(4)13-19(26-17(5)23)21(6)15(3)9-8-10-18(21)22/h7,9,11,16,18-19H,1,8,10,12-13H2,2-6H3,(H,24,25)/b14-11-/t16-,18+,19+,21+,22-/m1/s1 |
| InChIKey | FYPQSDLATSBJTO-MOAADMRZSA-N |
| Literature Reference Author | K.NABETA,T.OOHATA,N.IZUMI,K.KATOH |
| Literature Reference Citation | PHYTOCHEM.,37,1263(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90395-9 |
| Molecular Weight | 360.494 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMS23451 |