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15-Acetoxy-8.alpha.-(3',4'-dihydroxy-2'-methylenebutanoyloxy)-1.beta.-hydroxy-7.alpha.-H,6.beta.-H-germacra-4,10(14),11(13)-trien-12,6-olide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

15-Acetoxy-8.alpha.-(3',4'-dihydroxy-2'-methylenebutanoyloxy)-1.beta.-hydroxy-7.alpha.-H,6.beta.-H-germacra-4,10(14),11(13)-trien-12,6-olide
SpectraBase Compound ID HOCBpaNftWr
InChI InChI=1S/C22H28O9/c1-11-7-18(30-21(27)12(2)17(26)9-23)20-13(3)22(28)31-19(20)8-15(5-6-16(11)25)10-29-14(4)24/h8,16-20,23,25-26H,1-3,5-7,9-10H2,4H3/b15-8+/t16-,17+,18?,19?,20?/m1/s1
InChIKey XTKAUQABQDSSRP-LMJRQIOVSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H28O9
Exact Mass 436.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3G9g3Abkur
Name 15-Acetoxy-8.alpha.-(3',4'-dihydroxy-2'-methylenebutanoyloxy)-1.beta.-hydroxy-7.alpha.-H,6.beta.-H-germacra-4,10(14),11(13)-trien-12,6-olide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.173332473 u
Formula C22H28O9
InChI InChI=1S/C22H28O9/c1-11-7-18(30-21(27)12(2)17(26)9-23)20-13(3)22(28)31-19(20)8-15(5-6-16(11)25)10-29-14(4)24/h8,16-20,23,25-26H,1-3,5-7,9-10H2,4H3/b15-8+/t16-,17+,18?,19?,20?/m1/s1
InChIKey XTKAUQABQDSSRP-LMJRQIOVSA-N
Molecular Weight 436.457 g/mol
SMILES C1(C(C2C(OC(C(=C)[C@@](O)(CO)[H])=O)CC([C@](O)(CC\C(=C/C2O1)COC(=O)C)[H])=C)=C)=O