| SpectraBase Compound ID | Gf2PKMVD8L8 |
|---|---|
| InChI | InChI=1S/C31H44O5/c1-19(2)8-7-9-20(3)22-10-12-31(18-32)24-16-23-26(21(4)27(34)36-23)30(13-11-25(33)35-6)17-29(24,30)15-14-28(22,31)5/h8,18,20,22-24,26H,4,7,9-17H2,1-3,5-6H3/t20-,22-,23-,24-,26-,28-,29+,30-,31-/m1/s1 |
| InChIKey | NTTYSHPRLSHUCU-BBXRNWNRSA-N |
| Mol Weight | 496.7 g/mol |
| Molecular Formula | C31H44O5 |
| Exact Mass | 496.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2L0Zq262gKo |
|---|---|
| Name | Coronaloride methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H44O5 |
| InChI | InChI=1S/C31H44O5/c1-19(2)8-7-9-20(3)22-10-12-31(18-32)24-16-23-26(21(4)27(34)36-23)30(13-11-25(33)35-6)17-29(24,30)15-14-28(22,31)5/h8,18,20,22-24,26H,4,7,9-17H2,1-3,5-6H3/t20-,22-,23-,24-,26-,28-,29+,30-,31-/m1/s1 |
| InChIKey | NTTYSHPRLSHUCU-BBXRNWNRSA-N |
| Molecular Weight | 496.688 g/mol |
| SMILES | [C@]12([C@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCC=C(C)C)(C)[H])[H])C=O)([H])C[C@@]3([C@]2(C(C(=O)O3)=C)[H])[H])C1)CCC(=O)OC |
| SPLASH | splash10-01di-9306100000-ad472413b7718cea91e9 |
| Source of Spectrum | KC-60-1522-4 |
| Wiley ID | 1583375 |