| SpectraBase Compound ID | DD2aW8ysyFh |
|---|---|
| InChI | InChI=1S/C32H42O9/c1-16-12-25(40-29(37)21(16)14-38-18(3)34)17(2)22-6-7-23-20-13-28-32(41-28)27(39-19(4)35)9-8-26(36)31(32,15-33)24(20)10-11-30(22,23)5/h8-9,17,20,22-25,27-28,33H,6-7,10-15H2,1-5H3/t17-,20-,22+,23-,24-,25+,27-,28+,30+,31-,32+/m0/s1 |
| InChIKey | FDBKWVVSYLVJAN-QHYCPOAMSA-N |
| Mol Weight | 570.7 g/mol |
| Molecular Formula | C32H42O9 |
| Exact Mass | 570.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wuReuPs9jK |
|---|---|
| Name | WITHALONGOLIDE_A_4,27-DIACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H42O9 |
| InChI | InChI=1S/C32H42O9/c1-16-12-25(40-29(37)21(16)14-38-18(3)34)17(2)22-6-7-23-20-13-28-32(41-28)27(39-19(4)35)9-8-26(36)31(32,15-33)24(20)10-11-30(22,23)5/h8-9,17,20,22-25,27-28,33H,6-7,10-15H2,1-5H3/t17-,20-,22+,23-,24-,25+,27-,28+,30+,31-,32+/m0/s1 |
| InChIKey | FDBKWVVSYLVJAN-QHYCPOAMSA-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 | 570.680 g/mol |
| Sample ID | 39624 |
| Solvent | CDCl3 |