| SpectraBase Compound ID | JuOLwyxRlZF |
|---|---|
| InChI | InChI=1S/C18H24O12S/c1-31-18(26)28-4-6-2-8(20)11-7(15(24)25)5-27-16(10(6)11)30-17-14(23)13(22)12(21)9(3-19)29-17/h2,5,8-14,16-17,19-23H,3-4H2,1H3,(H,24,25)/t8-,9?,10?,11?,12?,13?,14?,16-,17?/m0/s1 |
| InChIKey | ICTKKPLVSHVNDV-VKQBUWJFSA-N |
| Mol Weight | 464.44 g/mol |
| Molecular Formula | C18H24O12S |
| Exact Mass | 464.098847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWHLnzFiP1l |
|---|---|
| Name | PAEDEROSIDIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H24O12S |
| InChI | InChI=1S/C18H24O12S/c1-31-18(26)28-4-6-2-8(20)11-7(15(24)25)5-27-16(10(6)11)30-17-14(23)13(22)12(21)9(3-19)29-17/h2,5,8-14,16-17,19-23H,3-4H2,1H3,(H,24,25)/t8-,9?,10?,11?,12?,13?,14?,16-,17?/m0/s1 |
| InChIKey | ICTKKPLVSHVNDV-VKQBUWJFSA-N |
| Literature Reference Author | I.CALIS,J.HEILMANN,D.TASDEMIR,A.LINDEN,C.M.IRELAND,O.STICHER |
| Literature Reference Citation | J.NAT.PROD.,64,961(2001) |
| Literature Reference DOI | 10.1021/np000614h |
| Molecular Weight | 464.441 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI1680 |