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(1S*)-Hexahydro-4'-(1"-hydroxy-2"-octenyl)-5,5-dimethylspiro[1,3-dioxane-2,2'-(1'H)-pentalen]-5'-ol

View entire compound with spectra: 1 MS (GC)

(1S*)-Hexahydro-4'-(1"-hydroxy-2"-octenyl)-5,5-dimethylspiro[1,3-dioxane-2,2'-(1'H)-pentalen]-5'-ol
SpectraBase Compound ID BJVbzjAEpWn
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-17(22)19-16-12-21(11-15(16)10-18(19)23)24-13-20(2,3)14-25-21/h8-9,15-19,22-23H,4-7,10-14H2,1-3H3/b9-8+/t15?,16?,17-,18?,19?/m0/s1
InChIKey NRJFZWSRGYCFLW-ZILQLDAWSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gxgv4o97Q9K
Name (1S*)-Hexahydro-4'-(1"-hydroxy-2"-octenyl)-5,5-dimethylspiro[1,3-dioxane-2,2'-(1'H)-pentalen]-5'-ol
Alternate Name(s) 4'-[(1S,2E)-1-hydroxyoct-2-en-1-yl]-5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ol
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Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-17(22)19-16-12-21(11-15(16)10-18(19)23)24-13-20(2,3)14-25-21/h8-9,15-19,22-23H,4-7,10-14H2,1-3H3/b9-8+/t15?,16?,17-,18?,19?/m0/s1
InChIKey NRJFZWSRGYCFLW-ZILQLDAWSA-N
Molecular Weight 352.515 g/mol
SMILES OC1CC2C(C1[C@](\C=C\CCCCC)(O)[H])CC1(C2)OCC(CO1)(C)C
SPLASH splash10-004i-0930000000-72414f79ce1245c3d7a9
Source of Spectrum U1-1998-816-31
Wiley ID 751277