| SpectraBase Compound ID | 3ob6iv9dsNg |
|---|---|
| InChI | InChI=1S/C33H48O10/c1-15-18(14-41-32-30(39)29(38)28(37)26(13-34)43-32)11-25(42-31(15)40)16(2)22-6-7-23-20-5-4-17-10-19(35)12-24(36)27(17)21(20)8-9-33(22,23)3/h16,19-23,25-26,28-30,32,34-35,37-39H,4-14H2,1-3H3/t16-,19+,20+,21-,22+,23-,25+,26+,28+,29-,30+,32+,33+/m0/s1 |
| InChIKey | CLUVBNATYXEVRS-UJQMTUMNSA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C33H48O10 |
| Exact Mass | 604.324748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rQbVeJ5vGV |
|---|---|
| Name | WITHALONGOLIDE_M;28-O-BETA-D-GLUCOPYRANOSYL_3-BETA-HYDROXY-1-OXO-19-NORWITHA-5-(10),24-DIENOLIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O10 |
| InChI | InChI=1S/C33H48O10/c1-15-18(14-41-32-30(39)29(38)28(37)26(13-34)43-32)11-25(42-31(15)40)16(2)22-6-7-23-20-5-4-17-10-19(35)12-24(36)27(17)21(20)8-9-33(22,23)3/h16,19-23,25-26,28-30,32,34-35,37-39H,4-14H2,1-3H3/t16-,19+,20+,21-,22+,23-,25+,26+,28+,29-,30+,32+,33+/m0/s1 |
| InChIKey | CLUVBNATYXEVRS-UJQMTUMNSA-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 | 604.738 g/mol |
| Sample ID | 39641 |
| Solvent | C5D5N |