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Methyl-12.beta.-hydroxy-13(16)-isocopalen-15-oate
SpectraBase Compound ID BavQh3jvkUq
InChI InChI=1S/C21H34O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h14-17,22H,1,7-12H2,2-6H3/t14-,15?,16?,17?,20-,21+/m1/s1
InChIKey RQJAKXWCURKZLQ-DJSSLKEWSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5XGLgHqgrV
Name Methyl-12.beta.-hydroxy-13(16)-isocopalen-15-oate
Alternate Name(s) Methyl (8alpha,10alpha,12beta)-12-hydroxy-8-methyl-13-methylenepodocarpane-14-carboxylate Methyl 12.beta.-hydroxy-13(16)-iso-copalen-15-oatemethyl tetradecahydro-3.beta.-hydroxy-4b,8,8,10a-tetramethyl-2-methylene-phenanthrene-1-carboxylate
CAS Registry Number 79191-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h14-17,22H,1,7-12H2,2-6H3/t14-,15?,16?,17?,20-,21+/m1/s1
InChIKey RQJAKXWCURKZLQ-DJSSLKEWSA-N
Molecular Weight 334.500 g/mol
SMILES O[C@]1(C(C([C@@]2(C([C@@]3(CCCC(C3CC2)(C)C)C)C1)C)C(=O)OC)=C)[H]
SPLASH splash10-000x-7900000000-af2eaaa74d78659c5161
Source of Spectrum J-46-4857-0
Wiley ID 1331314