![[1.beta.,2.beta.-(2)H(2)]3.beta.-chloroGA(20) methyl ester 13-acetate](/api/spectrum/8P3dIgVxw0T/structure.png?h=300&w=458 "[1.beta.,2.beta.-(2)H(2)]3.beta.-chloroGA(20) methyl ester 13-acetate")
| SpectraBase Compound ID | GqkXVlodbQV |
|---|---|
| InChI | InChI=1S/C22H27ClO6/c1-11-9-20-10-21(11,28-12(2)24)7-5-13(20)22-8-6-14(23)19(3,18(26)29-22)16(22)15(20)17(25)27-4/h13-16H,1,5-10H2,2-4H3/t13?,14-,15?,16?,19-,20?,21?,22+/m0/s1/i6D,8D/t6-,8+,13?,14-,15?,16?,19-,20?,21?,22+ |
| InChIKey | PJGIZKUOWIPOBD-NNMDDPNASA-N |
| Mol Weight | 424.92 g/mol |
| Molecular Formula | C22H252D2ClO6 |
| Exact Mass | 424.16217 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8P3dIgVxw0T |
|---|---|
| Name | [1.beta.,2.beta.-(2)H(2)]3.beta.-chloroGA(20) methyl ester 13-acetate |
| CAS Registry Number | 109950-92-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H25D2ClO6 |
| InChI | InChI=1S/C22H27ClO6/c1-11-9-20-10-21(11,28-12(2)24)7-5-13(20)22-8-6-14(23)19(3,18(26)29-22)16(22)15(20)17(25)27-4/h13-16H,1,5-10H2,2-4H3/t13?,14-,15?,16?,19-,20?,21?,22+/m0/s1/i6D,8D/t6-,8+,13?,14-,15?,16?,19-,20?,21?,22+ |
| InChIKey | PJGIZKUOWIPOBD-NNMDDPNASA-N |
| Molecular Weight | 424.917 g/mol |
| SMILES | [C@]123C([C@@](C)(C(O3)=O)[C@]([C@]([C@]1([2D])[H])([2D])[H])(Cl)[H])C(C(=O)OC)C13C2CCC(OC(=O)C)(C3)C(C1)=C |
| SPLASH | splash10-000x-9016000000-b602387484edd058f49a |
| Source of Spectrum | F-42-3213-37 |
| Wiley ID | 1378551 |