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(6R)-2,6-dimethyl-9-[(2S,3R,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-2-en-5-one
SpectraBase Compound ID 6Jr1hCWf2ls
InChI InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1
InChIKey XRDHAXIOHKTIGF-JECBFZOVSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gbopm1wZOIV
Name (6R)-2,6-dimethyl-9-[(2S,3R,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-2-en-5-one
CAS Registry Number 71117-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1
InChIKey XRDHAXIOHKTIGF-JECBFZOVSA-N
Molecular Weight 338.488 g/mol
SMILES OC\C=C\1CO[C@]([C@@](CC1)(O)[H])(CCC[C@](C(CC=C(C)C)=O)(C)[H])C
SPLASH splash10-014j-9400000000-43f8a153e2a50e2d7637
Source of Spectrum 0-16-281-1
Synonyms (6R)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethyl-2-nonen-5-one (6R)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one 2-Nonen-5-one, 9-((2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl)-2,6-dimethyl-, (6R)- Zoapatanol Zoapathnol BRN 4701586
Wiley ID 1333931