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7-ALPHA-ISOMER
SpectraBase Compound ID 77AVRAZaaN7
InChI InChI=1S/C21H30O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,17-18,22H,6,9-10,12H2,1-5H3/t17-,18?,20-,21-/m1/s1
InChIKey HWUVPJJFVCOYPE-SGZGKARISA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgUXl6gIyuC
Name Methyl 7.alpha. - hydroxy - dehydro - abietate
CAS Registry Number 62475-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,17-18,22H,6,9-10,12H2,1-5H3/t17-,18?,20-,21-/m1/s1
InChIKey HWUVPJJFVCOYPE-SGZGKARISA-N
Molecular Weight 330.468 g/mol
SMILES O[C@@]1(CC2[C@@](c3c1cc(C(C)C)cc3)(CCC[C@]2(C(=O)OC)C)C)[H]
SPLASH splash10-01p9-0069000000-e8a89997f0e287de5873
Source of Spectrum Va-0-0-0
Wiley ID 742143