| SpectraBase Compound ID | H4M4tHsE1IL |
|---|---|
| InChI | InChI=1S/C28H40O11S/c1-13-8-20(37-25(33)16(13)11-29)14(2)17-4-5-18-15-9-23-28(38-23)24(32)21(39-40(34,35)36)10-22(31)27(28,12-30)19(15)6-7-26(17,18)3/h14-15,17-21,23-24,29-30,32H,4-12H2,1-3H3,(H,34,35,36)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1 |
| InChIKey | COBSTJNYJHEYIM-WQWZRYHASA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C28H40O11S |
| Exact Mass | 584.229133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TMIia9Qqwn |
|---|---|
| Name | WITHALONGOLIDE_G;2,3-DIHYDRO-19-HYDROXY-3-BETA-O-SULFATE-WITHAFERIN_A |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O11S |
| InChI | InChI=1S/C28H40O11S/c1-13-8-20(37-25(33)16(13)11-29)14(2)17-4-5-18-15-9-23-28(38-23)24(32)21(39-40(34,35)36)10-22(31)27(28,12-30)19(15)6-7-26(17,18)3/h14-15,17-21,23-24,29-30,32H,4-12H2,1-3H3,(H,34,35,36)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1 |
| InChIKey | COBSTJNYJHEYIM-WQWZRYHASA-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 | 584.679 g/mol |
| Sample ID | 39636 |
| Solvent | CDCl3 |