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4a-epi-9.alpha.-Methoxydihydrodeoxybostrycin
SpectraBase Compound ID 37hycJmKmfz
InChI InChI=1S/C17H22O7/c1-17(22)6-8-7(4-11(17)19)14(20)12-9(18)5-10(23-2)15(21)13(12)16(8)24-3/h5,7-8,11,16,18-19,21-22H,4,6H2,1-3H3/t7-,8+,11-,16-,17+/m1/s1
InChIKey HXASFWLBCSXPEV-HCAPWNQLSA-N
Mol Weight 338.36 g/mol
Molecular Formula C17H22O7
Exact Mass 338.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KiYnPI9pn4
Name 4a-epi-9.alpha.-Methoxydihydrodeoxybostrycin
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O7
InChI InChI=1S/C17H22O7/c1-17(22)6-8-7(4-11(17)19)14(20)12-9(18)5-10(23-2)15(21)13(12)16(8)24-3/h5,7-8,11,16,18-19,21-22H,4,6H2,1-3H3/t7-,8+,11-,16-,17+/m1/s1
InChIKey HXASFWLBCSXPEV-HCAPWNQLSA-N
Instrument Name Thermo DSQ
Ionization Type EI
Literature Reference DOI 10.1021/np300103w
Molecular Weight 338.356 g/mol
Optical Rotation [a]D24 = -10.3 (c = 0.070, MeOH)
Reported Formula C17H22O7
SMILES Oc1c2C([C@@]3(C[C@]([C@](C[C@@]3([C@](c2c(c(c1)OC)O)(OC)[H])[H])(O)C)(O)[H])[H])=O
SPLASH splash10-052r-0291000000-ba85241a9da5286c8c4d
Source of Spectrum G4-75-SM8-1
Wiley ID 1854803