| SpectraBase Compound ID | ItOBhRk8TTV |
|---|---|
| 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-/m1/s1 |
| InChIKey | ICTKKPLVSHVNDV-WVILRKOYSA-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 | AoHyVOgxucu |
|---|---|
| Name | 6-EPI-PAEDEROSIDIC-ACID |
| Compound Number | 11 |
| 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-/m1/s1 |
| InChIKey | ICTKKPLVSHVNDV-WVILRKOYSA-N |
| Literature Reference Author | S.K.LING,A.KOMORITA,T.TANAKA,T.FUJIOKA,K.MIHASHI,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,65,656(2002) |
| Literature Reference DOI | 10.1021/np010479o |
| Molecular Weight | 464.441 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4152 |