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1-BETA,7-BETA,16-TRIHYDROXY-DHA;1-BETA,7-BETA,16-TRIHYDROXYDEHYDROABIETIC_ACID
SpectraBase Compound ID LmH42Fv0ZvL
InChI InChI=1S/C20H28O5/c1-11(10-21)12-4-5-14-13(8-12)15(22)9-16-19(2,18(24)25)7-6-17(23)20(14,16)3/h4-5,8,11,15-17,21-23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,15-,16-,17+,19+,20+/m0/s1
InChIKey UDBCKSBBABXXHY-DTQSKRQLSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzCRgf7oKI
Name 1.beta.,7.beta., 16-Trihydroxy-dehydroabietic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-11(10-21)12-4-5-14-13(8-12)15(22)9-16-19(2,18(24)25)7-6-17(23)20(14,16)3/h4-5,8,11,15-17,21-23H,6-7,9-10H2,1-3H3,(H,24,25)/t11?,15-,16-,17+,19+,20+/m0/s1
InChIKey UDBCKSBBABXXHY-DTQSKRQLSA-N
Molecular Weight 348.439 g/mol
SMILES OC([C@@]1(CC[C@]([C@]2([C@]1(C[C@@](c1c2ccc(c1)C(CO)C)(O)[H])[H])C)(O)[H])C)=O
SPLASH splash10-003r-0957000000-a2ab22024ffc9a789eea
Source of Spectrum G4-70-158-7
Synonyms (1R,4R,4aS,9S,10aR)-4,9-dihydroxy-7-(1-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (1R,4R,4aS,9S,10aR)-1,4a-dimethyl-4,9-bis(oxidanyl)-7-(1-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Wiley ID 1694904