| SpectraBase Compound ID | HekF72QShp4 |
|---|---|
| InChI | InChI=1S/C28H42O4/c1-17(2)22-8-10-24-27(5,23(22)9-11-25(29)30)13-12-19(4)28(24,6)16-20-15-21(32-7)14-18(3)26(20)31/h14-15,19,23-24,31H,8-13,16H2,1-7H3,(H,29,30)/t19-,23-,24+,27+,28+/m0/s1 |
| InChIKey | OZFVNSYPXRUABC-YGQRMAPLSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C28H42O4 |
| Exact Mass | 442.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZVPwScsqJw |
|---|---|
| Name | ATOMARIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O4 |
| InChI | InChI=1S/C28H42O4/c1-17(2)22-8-10-24-27(5,23(22)9-11-25(29)30)13-12-19(4)28(24,6)16-20-15-21(32-7)14-18(3)26(20)31/h14-15,19,23-24,31H,8-13,16H2,1-7H3,(H,29,30)/t19-,23-,24+,27+,28+/m0/s1 |
| InChIKey | OZFVNSYPXRUABC-YGQRMAPLSA-N |
| Literature Reference Author | M.WESSLES,G.M.KOENIG,A.D.WRIGHT |
| Literature Reference Citation | J.NAT.PROD.,62,927(1999) |
| Literature Reference DOI | 10.1021/np990010h |
| Molecular Weight | 442.639 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG3 |