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15-Methoxyabieta-8,11,13-trien-18-oic Acid
SpectraBase Compound ID 8kAJ9Nv7KZn
InChI InChI=1S/C21H30O3/c1-19(2,24-5)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)23/h8-9,13,17H,6-7,10-12H2,1-5H3,(H,22,23)/t17-,20-,21-/m1/s1
InChIKey QBAITYMIZWFOLG-DUXKGJEZSA-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 77zRoMuBz9h
Name 15-Methoxyabieta-8,11,13-trien-18-oic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-19(2,24-5)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)23/h8-9,13,17H,6-7,10-12H2,1-5H3,(H,22,23)/t17-,20-,21-/m1/s1
InChIKey QBAITYMIZWFOLG-DUXKGJEZSA-N
Literature Reference DOI 10.1002/hlca.200900238
Molecular Weight 330.468 g/mol
SMILES OC([C@]1([C@]2([C@](CCC1)(c1c(cc(cc1)C(C)(C)OC)CC2)C)[H])C)=O
SPLASH splash10-014i-0019000000-7b61165c924c7f20ba25
Source of Spectrum H-93-495-1
Synonyms 15-Methoxydehydroabietic Acid (1R,4aS,10aR)-7-(2-methoxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Wiley ID 1785815