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Spiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]-7'-carboxylic acid, 3',4',4'a,6',7',8',8'a,9'-octahydro-1',4'a,8'a-trimethyl-8'-oxo-, methyl ester, (1'.alpha.,4'a.beta.,7'.alpha.,8'a.beta.)-(.+-.)-
SpectraBase Compound ID ABgYBE4UoK1
InChI InChI=1S/C21H28O5/c1-13-15-7-8-20(3)16(6-5-14(17(20)22)18(23)24-4)19(15,2)9-10-21(13)25-11-12-26-21/h6-7,13-14H,5,8-12H2,1-4H3/t13-,14-,19-,20+/m0/s1
InChIKey IVYDDEFILDEWPO-WZBLMQSHSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VmQgTuh6F5
Name Spiro[1,3-dioxolane-2,2'(1'H)-phenanthrene]-7'-carboxylic acid, 3',4',4'a,6',7',8',8'a,9'-octahydro-1',4'a,8'a-trimethyl-8'-oxo-, methyl ester, (1'.alpha.,4'a.beta.,7'.alpha.,8'a.beta.)-(.+-.)-
CAS Registry Number 131250-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-13-15-7-8-20(3)16(6-5-14(17(20)22)18(23)24-4)19(15,2)9-10-21(13)25-11-12-26-21/h6-7,13-14H,5,8-12H2,1-4H3/t13-,14-,19-,20+/m0/s1
InChIKey IVYDDEFILDEWPO-WZBLMQSHSA-N
Molecular Weight 360.450 g/mol
SMILES C=12[C@@]3(C([C@](C)(C4(CC3)OCCO4)[H])=CC[C@]2(C(=O)[C@](CC1)(C(=O)OC)[H])C)C
SPLASH splash10-0002-9000000000-a8dfa5250e198c8ff259
Source of Spectrum J-56-1123-17
Synonyms Methyl (1'S,4'aS,7'S,8'aR)-1',4'a,8'a-trimethyl-8'-oxo-3',4',4'a,6',7',8',8'a,9'-octahydro-1'H-spiro[1,3-dioxolane-2,2'-phenanthrene]-7'-carboxylate Methyl 2-(ethylenedioxy)-1.alpha.,4a.beta.,8a.beta.-trimethyl-8-oxo-1,2,3,4,4a,6,7,8,8a,9-decahydrophenanthrene-7.alpha.-carboxylate
Wiley ID 1348467