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16alpha,17-Dihydroxy-ent-kauran-19-oic acid
SpectraBase Compound ID KvxQb1tk1CY
InChI InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15-,17+,18+,19-,20-/m0/s1
InChIKey MRBLTWPEPGRXQN-PEVZUJSLSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAXQOjdJsdy
Name 16alpha,17-Dihydroxy-ent-kauran-19-oic acid
Alternate Name(s) (4R,4aS,6aS,8R,9S,11aR,11bS)-8-hydroxy-8-(hydroxymethyl)-4,11b-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15-,17+,18+,19-,20-/m0/s1
InChIKey MRBLTWPEPGRXQN-PEVZUJSLSA-N
Literature Reference DOI 10.1002/jccs.200400131
Molecular Weight 336.472 g/mol
SMILES O[C@@]1(CO)[C@]2(CC[C@]3([C@@]4(CCC[C@]([C@@]4([H])CC[C@]3(C2)C1)(C(=O)O)C)C)[H])[H]
SPLASH splash10-0a4i-0947000000-a287d0653ac9ed6fbece
Source of Spectrum QA-51-873-8
Wiley ID 1795976