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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)

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