| SpectraBase Compound ID | IkaW4QbhCg8 |
|---|---|
| InChI | InChI=1S/C28H42O9/c1-14-22(30)23(31)24(32)25(36-14)37-16-3-4-19-17-5-8-26(2)18(15-11-21(29)35-13-15)7-10-28(26,34)20(17)6-9-27(19,33)12-16/h11,14,16-20,22-25,30-34H,3-10,12-13H2,1-2H3/t14-,16-,17+,18+,19+,20+,22-,23+,24+,25-,26+,27-,28-/m0/s1 |
| InChIKey | CDXPKMOTHWNLCR-ORVAITBMSA-N |
| Mol Weight | 522.6 g/mol |
| Molecular Formula | C28H42O9 |
| Exact Mass | 522.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dtEKAsjCl3 |
|---|---|
| Name | ANTIAROSIDE_I;DEMETHYLPERIPLORHAMNOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O9 |
| InChI | InChI=1S/C28H42O9/c1-14-22(30)23(31)24(32)25(36-14)37-16-3-4-19-17-5-8-26(2)18(15-11-21(29)35-13-15)7-10-28(26,34)20(17)6-9-27(19,33)12-16/h11,14,16-20,22-25,30-34H,3-10,12-13H2,1-2H3/t14-,16-,17+,18+,19+,20+,22-,23+,24+,25-,26+,27-,28-/m0/s1 |
| InChIKey | CDXPKMOTHWNLCR-ORVAITBMSA-N |
| Literature Reference Author | L.S.SHI,Y.R.LIAO,M.J.SU,A.S.LEE,P.C.KUO,A.G.DAMU,S.C.KUO,H.D .SUN,K.H.LEE,T.S.WU |
| Literature Reference Citation | J.NAT.PROD.,73,1214(2010) |
| Literature Reference DOI | 10.1021/np9005212 |
| Molecular Weight | 522.636 g/mol |
| Sample ID | 36421 |
| Solvent | C5D5N |