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(E)-ent-1.beta.-Acetoxy-17-mesyloxyatis-13,16-diene
SpectraBase Compound ID 6keBTdWbKSz
InChI InChI=1S/C23H34O5S/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/h6,10,14,16,18-20H,7-9,11-13H2,1-5H3/b17-14+/t16-,18+,19-,20+,22+,23+/m0/s1
InChIKey CHGQJUJPNXNWRQ-PTZMNBDFSA-N
Mol Weight 422.6 g/mol
Molecular Formula C23H34O5S
Exact Mass 422.212695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INVXtxQISy
Name (E)-ent-1.beta.-Acetoxy-17-mesyloxyatis-13,16-diene
Alternate Name(s) (1beta,8alpha,10alpha,12alpha,16E)-17-[(methylsulfonyl)oxy]atisa-13,16-dien-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5S
InChI InChI=1S/C23H34O5S/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/h6,10,14,16,18-20H,7-9,11-13H2,1-5H3/b17-14+/t16-,18+,19-,20+,22+,23+/m0/s1
InChIKey CHGQJUJPNXNWRQ-PTZMNBDFSA-N
Molecular Weight 422.580 g/mol
SMILES [C@@]12([C@]3([C@]4(C=C[C@](\C(=C\OS(=O)(=O)C)C4)(C3)[H])CC[C@@]1(C(CC[C@]2(OC(=O)C)[H])(C)C)[H])[H])C
SPLASH splash10-014i-0049000000-b899530ef7ad5154ae27
Source of Spectrum F-47-9114-10
Wiley ID 1378602