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(+/-)-(4a'S,7'S,8a'R,10a'R)-Methyl-8'.beta.-hydroxy-1',1',4a',8a'-tetramethyl-3',4',4a',6',7',8',8a',9',10',10a'-decahydro-1'H-spiro[[1,3]dioxolane-2,2'-phenanthrene]-7'-carboxylate
SpectraBase Compound ID 9Q94qzJFOOT
InChI InChI=1S/C22H34O5/c1-19(2)15-8-9-21(4)16(7-6-14(17(21)23)18(24)25-5)20(15,3)10-11-22(19)26-12-13-27-22/h7,14-15,17,23H,6,8-13H2,1-5H3/t14-,15-,17+,20-,21+/m0/s1
InChIKey XOBLCBSNRDTBTC-YAKQMPQVSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZypUUuezdu
Name (+/-)-(4a'S,7'S,8a'R,10a'R)-Methyl-8'.beta.-hydroxy-1',1',4a',8a'-tetramethyl-3',4',4a',6',7',8',8a',9',10',10a'-decahydro-1'H-spiro[[1,3]dioxolane-2,2'-phenanthrene]-7'-carboxylate
Appearance Crystalline solid
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Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-19(2)15-8-9-21(4)16(7-6-14(17(21)23)18(24)25-5)20(15,3)10-11-22(19)26-12-13-27-22/h7,14-15,17,23H,6,8-13H2,1-5H3/t14-,15-,17+,20-,21+/m0/s1
InChIKey XOBLCBSNRDTBTC-YAKQMPQVSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 378.509 g/mol
Reported Formula C22H34O5
SMILES O[C@]1([C@]2(C([C@@]3([C@](C(C4(CC3)OCCO4)(C)C)(CC2)[H])C)=CC[C@@]1(C(=O)OC)[H])C)[H]
SPLASH splash10-0002-9000000000-cb2688edceef8b8de30d
Source of Spectrum AF-54-SM28-116.beta.
Wiley ID 1848760