| SpectraBase Compound ID | 5qqJxpykix2 |
|---|---|
| InChI | InChI=1S/C29H46O8/c1-16(30)37-24(9-10-25(2,3)34)28(6,35)23-8-12-29(36)18-13-20(31)19-14-21(32)22(33)15-26(19,4)17(18)7-11-27(23,29)5/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17?,19?,21?,22?,23-,24+,26+,27+,28+,29+/m0/s1 |
| InChIKey | YAIZECBIJHIPCU-RKWHMHNYSA-N |
| Mol Weight | 522.7 g/mol |
| Molecular Formula | C29H46O8 |
| Exact Mass | 522.319268 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7BbOnHkzZW8 |
|---|---|
| Name | 20-ECD 22-acetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O8 |
| InChI | InChI=1S/C29H46O8/c1-16(30)37-24(9-10-25(2,3)34)28(6,35)23-8-12-29(36)18-13-20(31)19-14-21(32)22(33)15-26(19,4)17(18)7-11-27(23,29)5/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17?,19?,21?,22?,23-,24+,26+,27+,28+,29+/m0/s1 |
| InChIKey | YAIZECBIJHIPCU-RKWHMHNYSA-N |
| Molecular Weight | 522.679 g/mol |
| SMILES | OC(CC[C@]([C@@]([C@@]1([C@]2(CCC3C([C@@]2(CC1)O)=CC(C1CC(C(C[C@]31C)O)O)=O)C)[H])(O)C)(OC(=O)C)[H])(C)C |
| SPLASH | splash10-06vj-0109300000-cbd68901b51a436fc149 |
| Source of Spectrum | F-51-10646-6 |
| Synonyms | (22R)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl acetate |
| Wiley ID | 793726 |