| SpectraBase Compound ID | DJaWphjlkdI |
|---|---|
| InChI | InChI=1S/C33H48O11/c1-14-16(13-42-32-30(40)29(39)28(38)26(12-34)44-32)8-25(43-31(14)41)15(2)21-4-5-22-19-11-23(36)20-9-17(35)10-24(37)27(20)18(19)6-7-33(21,22)3/h15,17-19,21-23,25-26,28-30,32,34-36,38-40H,4-13H2,1-3H3/t15-,17+,18-,19+,21+,22-,23-,25+,26+,28+,29-,30+,32+,33+/m0/s1 |
| InChIKey | DKRAEDZNHJHJAB-YJKJOOOHSA-N |
| Mol Weight | 620.7 g/mol |
| Molecular Formula | C33H48O11 |
| Exact Mass | 620.319662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTrcTTXRoKw |
|---|---|
| Name | WITHALONGOLIDE_L;28-O-BETA-D-GLUCOPYRANOSYL-3-BETA,6-ALPHA-DIHYDROXY-1-OXO-19-NORWITHA-5-(10),24-DIENOLIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O11 |
| InChI | InChI=1S/C33H48O11/c1-14-16(13-42-32-30(40)29(39)28(38)26(12-34)44-32)8-25(43-31(14)41)15(2)21-4-5-22-19-11-23(36)20-9-17(35)10-24(37)27(20)18(19)6-7-33(21,22)3/h15,17-19,21-23,25-26,28-30,32,34-36,38-40H,4-13H2,1-3H3/t15-,17+,18-,19+,21+,22-,23-,25+,26+,28+,29-,30+,32+,33+/m0/s1 |
| InChIKey | DKRAEDZNHJHJAB-YJKJOOOHSA-N |
| Literature Reference Author | H.ZHANG,A.K.SAMADI,R.J.GALLAGHER,J.J.ARAYA,X.TONG,V.W.DAY,M. S.COHEN,K.KINDSCHER, |
| Literature Reference Citation | J.NAT.PROD.,74,2532(2011) |
| Literature Reference DOI | 10.1021/np200635r |
| Molecular Weight | 620.738 g/mol |
| Sample ID | 39640 |
| Solvent | C5D5N |