SpectraBase Compound ID | BT3LHbTBhqz |
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InChI | InChI=1S/C22H26O7/c1-5-13(2)21(25)27-12-17-8-6-7-16(11-23)9-18(28-15(4)24)20-14(3)22(26)29-19(20)10-17/h5,7,10-11,18-20H,3,6,8-9,12H2,1-2,4H3/b13-5-,16-7+,17-10+/t18-,19?,20?/m1/s1 |
InChIKey | SRLUXQKJYGHMLE-USBUAKISSA-N |
Mol Weight | 402.44 g/mol |
Molecular Formula | C22H26O7 |
Exact Mass | 402.167853 g/mol |
SpectraBase Spectrum ID | CxfVVW4SbfF |
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Name | 8.beta.-(Acetoxy)-15-[angeloyloxy]-14-oxo-(4Z)-acanthospermolide |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H26O7 |
InChI | InChI=1S/C22H26O7/c1-5-13(2)21(25)27-12-17-8-6-7-16(11-23)9-18(28-15(4)24)20-14(3)22(26)29-19(20)10-17/h5,7,10-11,18-20H,3,6,8-9,12H2,1-2,4H3/b13-5-,16-7+,17-10+/t18-,19?,20?/m1/s1 |
InChIKey | SRLUXQKJYGHMLE-USBUAKISSA-N |
Molecular Weight | 402.443 g/mol |
SMILES | C1(C(C2[C@](OC(=O)C)(C\C(=C/CC\C(=C/C2O1)COC(\C(=C/C)C)=O)C=O)[H])=C)=O |
SPLASH | splash10-0udi-9010000000-ae0e687642783f45e9a7 |
Source of Spectrum | G4-63-1328-7 |
Wiley ID | 1608606 |