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(2aR,4aR,5R,7aR,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2a,3,4,4a,5,67a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-2,6-diol ent-udoteatrial hydrate

View entire compound with spectra: 1 MS (GC)

(2aR,4aR,5R,7aR,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2a,3,4,4a,5,67a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-2,6-diol ent-udoteatrial hydrate
SpectraBase Compound ID 8wWBqD7lzmy
InChI InChI=1S/C20H32O4/c1-12(2)6-4-7-13(3)8-5-9-15-14-10-11-16-17(14)20(23-18(15)21)24-19(16)22/h6,8,14-22H,4-5,7,9-11H2,1-3H3/b13-8+/t14-,15-,16-,17+,18?,19?,20-/m1/s1
InChIKey FGMCHIORPBCHGW-WOZRIONCSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HiRgmPvesH
Name (2aR,4aR,5R,7aR,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2a,3,4,4a,5,67a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-2,6-diol ent-udoteatrial hydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-12(2)6-4-7-13(3)8-5-9-15-14-10-11-16-17(14)20(23-18(15)21)24-19(16)22/h6,8,14-22H,4-5,7,9-11H2,1-3H3/b13-8+/t14-,15-,16-,17+,18?,19?,20-/m1/s1
InChIKey FGMCHIORPBCHGW-WOZRIONCSA-N
Molecular Weight 336.472 g/mol
SMILES OC1O[C@]2(OC([C@@]([C@@]3([C@]2([C@]1(CC3)[H])[H])[H])(CC\C=C\(CCC=C(C)C)C)[H])O)[H]
SPLASH splash10-067i-9300000000-109950a212aff5c16361
Source of Spectrum F-49-10573-30
Synonyms (2aR,4aR,5R,7aS,7bS)-5-[(3E)-4,8-dimethyl-3,7-nonadienyl]octahydro-2H-1,7-dioxacyclopenta[cd]indene-2,6-diol
Wiley ID 788954