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Spiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]-7'-carboxylic acid, 3',4',4'a,6',8'a,9'-hexahydro-1',4'a,8'a-trimethyl-, methyl ester, (1'.alpha.,4'a.beta.,8'a.beta.)-(.+-.)-
SpectraBase Compound ID JWJBVNMbCnK
InChI InChI=1S/C21H28O4/c1-14-16-7-8-19(2)13-15(18(22)23-4)5-6-17(19)20(16,3)9-10-21(14)24-11-12-25-21/h6-7,13-14H,5,8-12H2,1-4H3/t14-,19-,20-/m0/s1
InChIKey AJPNMNAVUUEGTO-GKCIPKSASA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LOAy5uZLt4
Name Spiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]-7'-carboxylic acid, 3',4',4'a,6',8'a,9'-hexahydro-1',4'a,8'a-trimethyl-, methyl ester, (1'.alpha.,4'a.beta.,8'a.beta.)-(.+-.)-
Alternate Name(s) Methyl (1'S,4'aS,8'aS)-1',4'a,8'a-trimethyl-3',4',4'a,6',8'a,9'-hexahydro-1'H-spiro[1,3-dioxolane-2,2'-phenanthrene]-7'-carboxylate Methyl 2-(ethylenedioxy)-1.alpha.,4a.beta.,8a.beta.-trimethyl-1,2,3,4,4a,6,8a,9-octahydrophenanthrene-7-carboxylate
CAS Registry Number 131250-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-14-16-7-8-19(2)13-15(18(22)23-4)5-6-17(19)20(16,3)9-10-21(14)24-11-12-25-21/h6-7,13-14H,5,8-12H2,1-4H3/t14-,19-,20-/m0/s1
InChIKey AJPNMNAVUUEGTO-GKCIPKSASA-N
Molecular Weight 344.451 g/mol
SMILES [C@]12(C(=CC[C@@]3(C2=CCC(C(=O)OC)=C3)C)[C@](C)(C2(CC1)OCCO2)[H])C
SPLASH splash10-0002-9000000000-06b850965bace14f1596
Source of Spectrum J-56-1124-20
Wiley ID 1338136