| SpectraBase Compound ID | BVkWAZgDV77 |
|---|---|
| InChI | InChI=1S/C28H37ClO6/c1-13-10-20(35-25(33)14(13)2)15(3)26(4)18-6-7-19-16(17(18)12-24(26)32)11-21(29)28(34)23(31)9-8-22(30)27(19,28)5/h8-9,15-16,19-21,23-24,31-32,34H,6-7,10-12H2,1-5H3/t15-,16-,19-,20-,21-,23-,24+,26-,27-,28-/m0/s1 |
| InChIKey | QYTOJLJPAFMAQT-HZGRETEWSA-N |
| Mol Weight | 505.1 g/mol |
| Molecular Formula | C28H37ClO6 |
| Exact Mass | 504.227867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLAKzW3Qyf0 |
|---|---|
| Name | TUBOCAPSENOLIDE_G |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37ClO6 |
| InChI | InChI=1S/C28H37ClO6/c1-13-10-20(35-25(33)14(13)2)15(3)26(4)18-6-7-19-16(17(18)12-24(26)32)11-21(29)28(34)23(31)9-8-22(30)27(19,28)5/h8-9,15-16,19-21,23-24,31-32,34H,6-7,10-12H2,1-5H3/t15-,16-,19-,20-,21-,23-,24+,26-,27-,28-/m0/s1 |
| InChIKey | QYTOJLJPAFMAQT-HZGRETEWSA-N |
| Literature Reference Author | P.W.HSIEH,Z.Y.HUANG,J.H.CHEN,F.R.CHANG,C.C.WU,Y.L.YANG,M.Y.C HIANG,M.H.YEN,S.L.CH |
| Literature Reference Citation | J.NAT.PROD.,70,747(2007) |
| Literature Reference DOI | 10.1021/np0605541 |
| Molecular Weight | 505.051 g/mol |
| Sample ID | 30222 |
| Solvent | CDCl3 |