![(3)Methyl ester of 2.alpha.,9.alpha.-Bis(trideuteroacetoxy)-3.alpha.-carboxy-3.beta.,11a.beta.-dimethyl-5-oxoperhydrophenantro[10,1-bc]pyran](/api/spectrum/HhksxpfIDi4/structure.png?h=300&w=458 "(3)Methyl ester of 2.alpha.,9.alpha.-Bis(trideuteroacetoxy)-3.alpha.-carboxy-3.beta.,11a.beta.-dimethyl-5-oxoperhydrophenantro[10,1-bc]pyran")
| SpectraBase Compound ID | 4nhkLHZ9Uyx |
|---|---|
| InChI | InChI=1S/C24H34O8/c1-11-6-15(30-12(2)25)7-14-8-18-22-16(21(11)14)9-19(31-13(3)26)24(4,23(28)29-5)17(22)10-20(27)32-18/h11,14-19,21-22H,6-10H2,1-5H3/t11-,14?,15-,16?,17?,18?,19+,21?,22?,24-/m1/s1/i2D3,3D3 |
| InChIKey | XBBJZBCMWTYMTL-GCIXOHLZSA-N |
| Mol Weight | 456.56 g/mol |
| Molecular Formula | C24H282D6O8 |
| Exact Mass | 456.263029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HhksxpfIDi4 |
|---|---|
| Name | (3)Methyl ester of 2.alpha.,9.alpha.-Bis(trideuteroacetoxy)-3.alpha.-carboxy-3.beta.,11a.beta.-dimethyl-5-oxoperhydrophenantro[10,1-bc]pyran |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28D6O8 |
| InChI | InChI=1S/C24H34O8/c1-11-6-15(30-12(2)25)7-14-8-18-22-16(21(11)14)9-19(31-13(3)26)24(4,23(28)29-5)17(22)10-20(27)32-18/h11,14-19,21-22H,6-10H2,1-5H3/t11-,14?,15-,16?,17?,18?,19+,21?,22?,24-/m1/s1/i2D3,3D3 |
| InChIKey | XBBJZBCMWTYMTL-GCIXOHLZSA-N |
| Molecular Weight | 456.565 g/mol |
| SMILES | [C@@]1(C2C3C(CC4C(C3C[C@@]1(OC(=O)C([2D])([2D])[2D])[H])[C@@](C[C@@](OC(=O)C([2D])([2D])[2D])(C4)[H])(C)[H])OC(C2)=O)(C(=O)OC)C |
| SPLASH | splash10-00di-0095100000-119d1a203ef749d37e3a |
| Source of Spectrum | C-13-312-3 |
| Wiley ID | 1387676 |