![[1.beta.,2.beta.-(2)H(2)]ga(1) methyl ester 13-acetate](/api/spectrum/2YZ4mF7dll7/structure.png?h=300&w=458 "[1.beta.,2.beta.-(2)H(2)]ga(1) methyl ester 13-acetate")
| SpectraBase Compound ID | 9FLkPm2tPEr |
|---|---|
| InChI | InChI=1S/C22H28O7/c1-9-8-22-15-11-5-6-14(24)21(3,16(11)17(22)19(25)27-4)20(26)29-13(15)7-12(9)18(22)28-10(2)23/h11-18,24H,1,5-8H2,2-4H3/t11-,12+,13+,14-,15-,16-,17-,18?,21-,22+/m1/s1/i5D,6D/t5-,6+,11+,12-,13-,14+,15+,16+,17+,18?,21+,22-/m0 |
| InChIKey | IIVFLGKXIMUQCV-ZIDGTETMSA-N |
| Mol Weight | 0.0 g/mol |
| Molecular Formula | C22H26D2O7 |
| Exact Mass | 0.0 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2YZ4mF7dll7 |
|---|---|
| Name | [1.beta.,2.beta.-(2)H(2)]ga(1) methyl ester 13-acetate |
| CAS Registry Number | 106539-93-9 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26D2O7 |
| InChI | InChI=1S/C22H28O7/c1-9-8-22-15-11-5-6-14(24)21(3,16(11)17(22)19(25)27-4)20(26)29-13(15)7-12(9)18(22)28-10(2)23/h11-18,24H,1,5-8H2,2-4H3/t11-,12+,13+,14-,15-,16-,17-,18?,21-,22+/m1/s1/i5D,6D/t5-,6+,11+,12-,13-,14+,15+,16+,17+,18?,21+,22-/m0 |
| InChIKey | IIVFLGKXIMUQCV-ZIDGTETMSA-N |
| Molecular Weight | 406.471 g/mol |
| SMILES | O[C@]1([C@@]2([C@]3([C@@]([C@@]45[C@]([C@]3([C@]([C@]1([2D])[H])([2D])[H])[H])([C@@](OC2=O)(C[C@](C5OC(=O)C)(C(C4)=C)[H])[H])[H])(C(=O)OC)[H])[H])C)[H] |
| SPLASH | splash10-01ox-5019000000-b71188f47359aaca5a02 |
| Source of Spectrum | F-42-3213-35 |
| Synonyms | ent-13-acetoxy-1.alpha.,2.alpha.-dideuterio-3.alpha.,10.beta.-dihydroxy-20-norgibberell-16-ene-7,19-dioic acid 7-methyl ester-19,10-lactone ent-13-acetoxy-1.alpha.,2.alpha.-dideuterio-3.beta.,10.beta.-dihydroxy-20-norgibberell-16-ene-7,19-dioic acid 7-methyl ester 19,10-lactone |
| Wiley ID | 1371298 |