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Methyl-12.beta.-hydroxy-13-isocopalen-15-oate
SpectraBase Compound ID I1TaMGzsFY9
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/h14-16,22H,7-12H2,1-6H3/t14-,15?,16?,20-,21+/m1/s1
InChIKey VHSJFGGMDJZDRY-LPQLGVJJSA-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 IqaC1hlo7kZ
Name Methyl-12.beta.-hydroxy-13-isocopalen-15-oate
CAS Registry Number 79191-21-2
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/h14-16,22H,7-12H2,1-6H3/t14-,15?,16?,20-,21+/m1/s1
InChIKey VHSJFGGMDJZDRY-LPQLGVJJSA-N
Molecular Weight 334.500 g/mol
SMILES O[C@@]1(CC2[C@@](C(=C1C)C(=O)OC)(CCC1C(CCC[C@@]21C)(C)C)C)[H]
SPLASH splash10-0006-0901000000-01eb888001a70bc7ca9f
Source of Spectrum J-46-4857-0
Synonyms Methyl (8alpha,10alpha,12beta)-12-hydroxy-8,13-dimethylpodocarp-13-ene-14-carboxylate Methyl 12.beta.-hydroxy-13-iso-copalen-15-oatemethyl 3,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-3.beta.-hydroxy-2,4b,8,8,10a-pentamethyl-phenanthrene-1-carboxylate
Wiley ID 1331313