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ent-1.beta.-acetoxy-17-mesyloxyatis-13-ene
SpectraBase Compound ID 8B39UK1IEy2
InChI InChI=1S/C23H36O5S/c1-15(24)28-20-8-9-21(2,3)18-7-11-23-10-6-16(12-19(23)22(18,20)4)17(13-23)14-27-29(5,25)26/h14,16,18-20H,6-13H2,1-5H3/b17-14-/t16-,18+,19-,20+,22+,23+/m0/s1
InChIKey GVMYLALUPLTIBT-ITVVZTJHSA-N
Mol Weight 424.6 g/mol
Molecular Formula C23H36O5S
Exact Mass 424.228345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hp9sVeUmqp
Name ent-1.beta.-acetoxy-17-mesyloxyatis-13-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O5S
InChI InChI=1S/C23H36O5S/c1-15(24)28-20-8-9-21(2,3)18-7-11-23-10-6-16(12-19(23)22(18,20)4)17(13-23)14-27-29(5,25)26/h14,16,18-20H,6-13H2,1-5H3/b17-14-/t16-,18+,19-,20+,22+,23+/m0/s1
InChIKey GVMYLALUPLTIBT-ITVVZTJHSA-N
Molecular Weight 424.596 g/mol
SMILES [C@]12([C@]3([C@@]4(C\C([C@](C3)(CC4)[H])=C\OS(=O)(=O)C)CC[C@@]2(C(CC[C@]1(OC(=O)C)[H])(C)C)[H])[H])C
SPLASH splash10-014i-0079000000-180417fb0313d18673a1
Source of Spectrum F-47-9117-36
Synonyms (1beta,8alpha,10alpha,12alpha,16Z)-17-[(methylsulfonyl)oxy]atis-16-en-1-yl acetate
Wiley ID 1379289