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16alpha-Hydro-ent-kauran-17,19-dioic acid
SpectraBase Compound ID AJWprULDlxD
InChI InChI=1S/C20H30O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h12-15H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12-,13-,14-,15-,18+,19+,20-/m0/s1
InChIKey HITLMPHPGUZLGI-ISJGKRHBSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44OKmJUzBZH
Name 16alpha-Hydro-ent-kauran-17,19-dioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h12-15H,3-11H2,1-2H3,(H,21,22)(H,23,24)/t12-,13-,14-,15-,18+,19+,20-/m0/s1
InChIKey HITLMPHPGUZLGI-ISJGKRHBSA-N
Literature Reference DOI 10.1002/jccs.200400131
Molecular Weight 334.456 g/mol
SMILES OC([C@@]1([C@@]2(C[C@]3([C@]([C@]4([C@@]([C@](C(=O)O)(CCC4)C)(CC3)[H])C)(CC2)[H])C1)[H])[H])=O
SPLASH splash10-00di-1900000000-0a9542bee56a540ca585
Source of Spectrum QA-51-873-10
Synonyms (4R,4aS,6aS,8S,9S,11aR,11bS)-4,11b-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4,8-dicarboxylic acid
Wiley ID 1795964