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2.beta.,3.beta.-Dihydroxy-11.beta.,13-dihydrodeoymikanolide
SpectraBase Compound ID 8OyTaQ0WaGZ
InChI InChI=1S/C15H18O7/c1-5-9-7-3-6(14(19)20-7)10(16)11(17)12-15(2,22-12)4-8(9)21-13(5)18/h3,5,7-12,16-17H,4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12-,15+/m1/s1
InChIKey LSDUEOPWYFLQEQ-SGTFNGHYSA-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 JKlvd13TqmV
Name 2.beta.,3.beta.-Dihydroxy-11.beta.,13-dihydrodeoymikanolide
Appearance Colorless prisms
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O7
InChI InChI=1S/C15H18O7/c1-5-9-7-3-6(14(19)20-7)10(16)11(17)12-15(2,22-12)4-8(9)21-13(5)18/h3,5,7-12,16-17H,4H2,1-2H3/t5-,7-,8+,9+,10-,11-,12-,15+/m1/s1
InChIKey LSDUEOPWYFLQEQ-SGTFNGHYSA-N
Instrument Name Micromass Platform EI 200 GC/MS
Ionization Type EI
Literature Reference DOI 10.1021/np034027i
Molecular Weight 310.302 g/mol
Optical Rotation [a]D24 = +82.4 (c = 0.1263, acetone)
Reported Formula C15H18O7
SMILES O[C@@]1(C2=C[C@]([C@]3([C@](C[C@]4([C@@]([C@@]1(O)[H])(O4)[H])C)(OC([C@@]3(C)[H])=O)[H])[H])(OC2=O)[H])[H]
SPLASH splash10-03kj-2900000000-57034d072f685ca5277d
Source of Spectrum G4-67-736-4
Wiley ID 1881754