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(2S,3R)-2-Methyl-2-(4',8'-dimethyl-5'-oxonon-6'-en-1'-yl)-3-hydroxy-6-(.beta.-hydroxyvinylidene)-1-oxacycloheptane
SpectraBase Compound ID 33mLJSId82w
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/h7,9,11,15-16,19,21,23H,5-6,8,10,12-14H2,1-4H3/b9-7+,17-11+/t16?,19-,20+/m1/s1
InChIKey MGBDOIDUBPGHKF-NZNDEKKWSA-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 8OzGaCprfBD
Name (2S,3R)-2-Methyl-2-(4',8'-dimethyl-5'-oxonon-6'-en-1'-yl)-3-hydroxy-6-(.beta.-hydroxyvinylidene)-1-oxacycloheptane
Alternate Name(s) (3E)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepanyl]-2,6-dimethyl-3-nonen-5-one 2-Methyl-2-(4',8'-dimethyl-5'-oxonon-6'-en-1'-yl)-3-hydroxy-6-(.beta.-hydroxyvinylidene)-1-oxacycloheptane 21-nor-montanol (E)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethyl-3-nonen-5-one (E)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-3-en-5-one (E)-2,6-dimethyl-9-[(2S,3R,6E)-2-methyl-3-oxidanyl-6-(2-oxidanylethylidene)oxepan-2-yl]non-3-en-5-one
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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/h7,9,11,15-16,19,21,23H,5-6,8,10,12-14H2,1-4H3/b9-7+,17-11+/t16?,19-,20+/m1/s1
InChIKey MGBDOIDUBPGHKF-NZNDEKKWSA-N
Molecular Weight 338.488 g/mol
SMILES OC\C=C\1CO[C@]([C@@](CC1)(O)[H])(CCCC(C(\C=C\C(C)C)=O)C)C
SPLASH splash10-06dj-9340000000-bfb64202d8c700543bef
Source of Spectrum X2-48-744-2
Wiley ID 1601772