![2-hydroxy-3-mercapto-2-methylol-butyric acid [(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester](/api/spectrum/G5UE6iiBpSm/structure.png?h=300&w=458 "2-hydroxy-3-mercapto-2-methylol-butyric acid [(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester")
| SpectraBase Compound ID | JqJRDVFbLW7 |
|---|---|
| InChI | InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3/b10-7-,11-6-/t13?,14?,15?,16?,17-,20?/m1/s1 |
| InChIKey | VLJMGJBBVNUYSJ-LXQMTTSMSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C20H28O7S |
| Exact Mass | 412.155574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5UE6iiBpSm |
|---|---|
| Name | 2-hydroxy-3-mercapto-2-methylol-butyric acid [(6Z,10Z)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester |
| CAS Registry Number | 72229-36-8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O7S |
| InChI | InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3/b10-7-,11-6- |
| InChIKey | VLJMGJBBVNUYSJ-LXQMTTSMSA-N |
| Literature Reference Author | W.HERZ,N.KUMAR,J.F.BLOUNT |
| Literature Reference Citation | J.ORG.CHEM.,45,489(1980) |
| Literature Reference DOI | 10.1021/jo01291a023 |
| Molecular Weight | 412.498 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UNIW20737 |