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15-Acetoxy-8.alpha.-(3',4'-dihydroxy-2'-methylenebutanoyloxy)-1.beta.-hydroperxy-7.alpha.-H,6.beta.-H-germacra-4,10(14),11(13)-trien-12,6-olide
SpectraBase Compound ID Dw1x8kwmSs5
InChI InChI=1S/C22H28O10/c1-11-7-18(30-21(26)12(2)16(25)9-23)20-13(3)22(27)31-19(20)8-15(10-29-14(4)24)5-6-17(11)32-28/h8,16-20,23,25,28H,1-3,5-7,9-10H2,4H3/b15-8+/t16?,17-,18+,19+,20-/m1/s1
InChIKey VQJJEVWMPNOJOZ-ZDCQNVSJSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H28O10
Exact Mass 452.168247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnSbNbdmNJ
Name 15-Acetoxy-8.alpha.-(3',4'-dihydroxy-2'-methylenebutanoyloxy)-1.beta.-hydroperxy-7.alpha.-H,6.beta.-H-germacra-4,10(14),11(13)-trien-12,6-olide
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Formula C22H28O10
InChI InChI=1S/C22H28O10/c1-11-7-18(30-21(26)12(2)16(25)9-23)20-13(3)22(27)31-19(20)8-15(10-29-14(4)24)5-6-17(11)32-28/h8,16-20,23,25,28H,1-3,5-7,9-10H2,4H3/b15-8+/t16?,17-,18+,19+,20-/m1/s1
InChIKey VQJJEVWMPNOJOZ-ZDCQNVSJSA-N
Molecular Weight 452.456 g/mol
SMILES OC(CO)C(C(O[C@@]1([C@]2(C(C(O[C@]2(\C=C\(COC(=O)C)CC[C@](C(C1)=C)(OO)[H])[H])=O)=C)[H])[H])=O)=C
SPLASH splash10-0159-0900000000-eac4bcd30b0d6c0c432b
Source of Spectrum U-1997-531-16
Wiley ID 769635