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(16-alpha)-16-Hydroxy-ent-atisan-19-oic Acid
SpectraBase Compound ID 5gl1JhSSUbh
InChI InChI=1S/C20H32O3/c1-17-7-4-8-18(2,16(21)22)14(17)6-10-20-9-5-13(11-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14+,15+,17-,18-,19-,20-/m1/s1
InChIKey KUDNZZJFTVEEJP-HMJFWSPYSA-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 GnHKi3r1ccr
Name (16-alpha)-16-Hydroxy-ent-atisan-19-oic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-17-7-4-8-18(2,16(21)22)14(17)6-10-20-9-5-13(11-15(17)20)19(3,23)12-20/h13-15,23H,4-12H2,1-3H3,(H,21,22)/t13-,14+,15+,17-,18-,19-,20-/m1/s1
InChIKey KUDNZZJFTVEEJP-HMJFWSPYSA-N
Literature Reference DOI 10.1002/hlca.201200305
Molecular Weight 320.473 g/mol
SMILES OC([C@]1([C@]2(CC[C@@]34C[C@@]([C@@](C[C@]4([C@@]2(CCC1)C)[H])(CC3)[H])(C)O)[H])C)=O
SPLASH splash10-052u-2792000000-119c1dc1ace5862bad8b
Source of Spectrum H-96-869-8a
Synonyms (2R,3R,4aR,4bS,8R,8aS,10aS)-2-hydroxy-2,4b,8-trimethyldodecahydro-1H-3,10a-ethanophenanthrene-8-carboxylic acid
Wiley ID 1784757