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(2R,5R,6R,7S)-Germacra-1(10)E,4(15)-dien-5-hydroperoxy-2,6-diol
SpectraBase Compound ID 7gwwFNrlT7X
InChI InChI=1S/C15H26O4/c1-9(2)13-6-5-10(3)7-12(16)8-11(4)15(19-18)14(13)17/h7,9,12-18H,4-6,8H2,1-3H3/b10-7+/t12-,13-,14+,15+/m0/s1
InChIKey WLCMBZTUSKXURS-LWBWOVRNSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ybQyridrPg
Name (2R,5R,6R,7S)-Germacra-1(10)E,4(15)-dien-5-hydroperoxy-2,6-diol
Appearance Colorless amorphous solid
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Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-9(2)13-6-5-10(3)7-12(16)8-11(4)15(19-18)14(13)17/h7,9,12-18H,4-6,8H2,1-3H3/b10-7+/t12-,13-,14+,15+/m0/s1
InChIKey WLCMBZTUSKXURS-LWBWOVRNSA-N
Instrument Name FISONS VG Prospec
Ionization Type EI
Literature Reference DOI 10.1021/np050120q
Molecular Weight 270.369 g/mol
Optical Rotation [a]D25 = -20.5 (c = 0.02, CHCl3)
Reported Formula C15H26O4
SMILES OO[C@@]1(C(C[C@](\C=C\(CC[C@]([C@]1(O)[H])(C(C)C)[H])C)(O)[H])=C)[H]
SPLASH splash10-0f6t-9050000000-5921f821081c485bc615
Source of Spectrum G4-68-856-2
Wiley ID 1882024