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16.beta.-O-ethyl nigakihemiacetal C
SpectraBase Compound ID HDqAaAn0iO7
InChI InChI=1S/C23H36O6/c1-7-28-17-10-14-12(3)18(24)19(25)20-22(14,4)16(29-17)9-13-11(2)8-15(27-6)21(26)23(13,20)5/h8,11-14,16-20,24-25H,7,9-10H2,1-6H3/t11-,12-,13+,14+,16-,17-,18+,19-,20+,22-,23+/m1/s1
InChIKey XJPVWEGYTRZCDP-WLYJAIRQSA-N
Mol Weight 408.5 g/mol
Molecular Formula C23H36O6
Exact Mass 408.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoUH4vXiH6O
Name 16.beta.-O-ethyl nigakihemiacetal C
Alternate Name(s) Phenanthro[10,1-bc]pyran, picras-2-en-1-one deriv. (11alpha,12beta,16alpha)-16-ethoxy-11,12-dihydroxy-2-methoxypicras-2-en-1-one 16.alpha.-O-ethylnigakihemiacetal C Picras-2-en-1-one, 16-ethoxy-11,12-dihydroxy-2-methoxy-, (11.alpha.,12.beta.,16.alpha.)-
CAS Registry Number 98086-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O6
InChI InChI=1S/C23H36O6/c1-7-28-17-10-14-12(3)18(24)19(25)20-22(14,4)16(29-17)9-13-11(2)8-15(27-6)21(26)23(13,20)5/h8,11-14,16-20,24-25H,7,9-10H2,1-6H3/t11-,12-,13+,14+,16-,17-,18+,19-,20+,22-,23+/m1/s1
InChIKey XJPVWEGYTRZCDP-WLYJAIRQSA-N
Molecular Weight 408.535 g/mol
SMILES O[C@@]1([C@]([C@@]([C@]2([C@]3([C@]1([C@@]1([C@@](C[C@]3(O[C@](C2)(OCC)[H])[H])([C@@](C=C(C1=O)OC)(C)[H])[H])C)[H])C)[H])(C)[H])(O)[H])[H]
SPLASH splash10-0udi-0906000000-83ca8db9d23cdbd8a6c7
Source of Spectrum AJ-58-1798-0
Wiley ID 1372988