![9.alpha.-(Acetoxy)-8.beta.-[(2'-methylbutanoyl)oxy]-14-oxo-(4Z)-acanthospermolide](/api/spectrum/A24YpZCHKz0/structure.png?h=300&w=458 "9.alpha.-(Acetoxy)-8.beta.-[(2'-methylbutanoyl)oxy]-14-oxo-(4Z)-acanthospermolide")
| SpectraBase Compound ID | 1hgEhsd6Whr |
|---|---|
| InChI | InChI=1S/C22H28O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(10-23)7-6-8-16(11-24)19(20)28-14(4)25/h8-9,11-12,17-20,23H,3,5-7,10H2,1-2,4H3/b15-9-,16-8-/t12?,17?,18?,19-,20-/m0/s1 |
| InChIKey | YRUNQVZUGKDPML-YQOHHIKRSA-N |
| Mol Weight | 420.46 g/mol |
| Molecular Formula | C22H28O8 |
| Exact Mass | 420.178418 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A24YpZCHKz0 |
|---|---|
| Name | 9.alpha.-(Acetoxy)-8.beta.-[(2'-methylbutanoyl)oxy]-14-oxo-(4Z)-acanthospermolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O8 |
| InChI | InChI=1S/C22H28O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(10-23)7-6-8-16(11-24)19(20)28-14(4)25/h8-9,11-12,17-20,23H,3,5-7,10H2,1-2,4H3/b15-9-,16-8-/t12?,17?,18?,19-,20-/m0/s1 |
| InChIKey | YRUNQVZUGKDPML-YQOHHIKRSA-N |
| Molecular Weight | 420.458 g/mol |
| SMILES | OC\C1=C/C2C([C@@]([C@](\C(=C/CC1)C=O)(OC(=O)C)[H])(OC(=O)C(CC)C)[H])C(C(=O)O2)=C |
| SPLASH | splash10-0a4i-9021100000-3dc97fae82e2c944125d |
| Source of Spectrum | G4-63-1328-8 |
| Wiley ID | 1608605 |