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Microdiplodiasol
SpectraBase Compound ID KxyIY0BPur5
InChI InChI=1S/C15H18O7/c1-14-10(18)2-3-11(19)15(14,21)13(20)12-8(17)4-7(6-16)5-9(12)22-14/h4-5,10-11,16-19,21H,2-3,6H2,1H3/t10-,11-,14-,15-/m0/s1
InChIKey SCOQIJBVVKZZHE-GVARAGBVSA-N
Mol Weight 310.3 g/mol
Molecular Formula C15H18O7
Exact Mass 310.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oIf20u0vAs
Name Microdiplodiasol
Appearance Brown gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O7
InChI InChI=1S/C15H18O7/c1-14-10(18)2-3-11(19)15(14,21)13(20)12-8(17)4-7(6-16)5-9(12)22-14/h4-5,10-11,16-19,21H,2-3,6H2,1H3/t10-,11-,14-,15-/m0/s1
InChIKey SCOQIJBVVKZZHE-GVARAGBVSA-N
Instrument Name MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/np100730b
Molecular Weight 310.302 g/mol
Optical Rotation [a]D29 = +6 (c = 0.15, MeOH)
Reported Formula C15H18O7
SMILES OCc1cc(c2C([C@@]3([C@@](Oc2c1)([C@](CC[C@@]3(O)[H])(O)[H])C)O)=O)O
SPLASH splash10-014i-3912000000-7e9f782b700b8f05a247
Source of Spectrum G4-74-371-2
Wiley ID 1849055