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16alpha-Hydro-19-acetoxy-ent-kauran-17-oic acid
SpectraBase Compound ID JTRyu94LR65
InChI InChI=1S/C22H34O4/c1-14(23)26-13-20(2)8-4-9-21(3)17(20)7-10-22-11-15(5-6-18(21)22)16(12-22)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)/t15-,16-,17+,18-,20-,21+,22-/m0/s1
InChIKey ZKXLEDOCSSUHKY-WAAHBIMHSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsruFuCg8xp
Name 16alpha-Hydro-19-acetoxy-ent-kauran-17-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14(23)26-13-20(2)8-4-9-21(3)17(20)7-10-22-11-15(5-6-18(21)22)16(12-22)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)/t15-,16-,17+,18-,20-,21+,22-/m0/s1
InChIKey ZKXLEDOCSSUHKY-WAAHBIMHSA-N
Literature Reference DOI 10.1002/jccs.200400131
Molecular Weight 362.510 g/mol
SMILES OC([C@@]1([C@]2(CC[C@]3([C@@]4(CCC[C@]([C@@]4([H])CC[C@]3(C2)C1)(COC(=O)C)C)C)[H])[H])[H])=O
SPLASH splash10-05g3-1920000000-1a85d93346764321655d
Source of Spectrum QA-51-874-17
Synonyms (4R,4aS,6aS,8S,9S,11aR,11bS)-4-(acetoxymethyl)-4,11b-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-8-carboxylic acid
Wiley ID 1795970