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16alpha-Hydroxy-ent-kauran-19-oic acid
SpectraBase Compound ID 9i0lbsHLf5O
InChI InChI=1S/C20H32O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14-,15-,17+,18+,19+,20-/m0/s1
InChIKey XJSSRXITQUJZLO-SBPXRTMWSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IA4woGZonqW
Name 16alpha-Hydroxy-ent-kauran-19-oic acid
Alternate Name(s) (4R,4aS,6aS,8R,9S,11aR,11bS)-8-hydroxy-4,8,11b-trimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14-,15-,17+,18+,19+,20-/m0/s1
InChIKey XJSSRXITQUJZLO-SBPXRTMWSA-N
Literature Reference DOI 10.1002/jccs.200400131
Molecular Weight 320.473 g/mol
SMILES O[C@]1([C@@]2(C[C@]3([C@]([C@]4([C@@]([C@](C(=O)O)(CCC4)C)(CC3)[H])C)(CC2)[H])C1)[H])C
SPLASH splash10-00di-0901000000-f440631b90b00eda3f16
Source of Spectrum QA-51-873-7
Wiley ID 1795975