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Methyl 3,3-(Ethylenedioxy)-6-oxoeudesmane-13-carboxylate
SpectraBase Compound ID HbX8aE30qzA
InChI InChI=1S/C18H26O5/c1-11(16(20)21-4)13-5-6-17(3)7-8-18(22-9-10-23-18)12(2)14(17)15(13)19/h9-14H,5-8H2,1-4H3/t11?,12-,13-,14?,17-/m0/s1
InChIKey MPTWXHJUDWGUNK-SGJWWCBWSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6t9SBdrlTUc
Name Methyl 3,3-(Ethylenedioxy)-6-oxoeudesmane-13-carboxylate
CAS Registry Number 135645-80-6
Comments Less than 3 mono-isotopic peaks
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Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-11(16(20)21-4)13-5-6-17(3)7-8-18(22-9-10-23-18)12(2)14(17)15(13)19/h9-14H,5-8H2,1-4H3/t11?,12-,13-,14?,17-/m0/s1
InChIKey MPTWXHJUDWGUNK-SGJWWCBWSA-N
Molecular Weight 322.401 g/mol
SMILES C1(C2[C@@](CCC3([C@]2(C)[H])OC=CO3)(C)CC[C@]1(C(C(=O)OC)C)[H])=O
SPLASH splash10-0002-9003000000-dd40de9420a9e09c2c51
Source of Spectrum J-56-6237-8
Synonyms methyl 2-[(1'S,4'aS,7'S)-1',4'a-dimethyl-8'-oxo-3',4',4'a,5',6',7',8',8'a-octahydro-1'H-spiro[1,3-dioxole-2,2'-naphthalene]-7'-yl]propanoate
Wiley ID 1321717