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15-Oxatricyclo[9.3.2.1(4,8)]heptadec-11-en-16-one, 2-(acetyloxy)-1,7,8-trimethyl-17-methylene-, [1R-(1R*,2S*,4R*,7S*,8R*)]-
SpectraBase Compound ID EO9WeuImtS1
InChI InChI=1S/C22H32O4/c1-14-8-9-18-13-19(25-16(3)23)22(5)11-6-7-17(20(24)26-22)10-12-21(14,4)15(18)2/h7,14,18-19H,2,6,8-13H2,1,3-5H3/t14?,18-,19?,21-,22+/m1/s1
InChIKey UODYRJBOCCRFPV-ZQVZDODDSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BuIwkR9NZ8
Name 15-Oxatricyclo[9.3.2.1(4,8)]heptadec-11-en-16-one, 2-(acetyloxy)-1,7,8-trimethyl-17-methylene-, [1R-(1R*,2S*,4R*,7S*,8R*)]-
Alternate Name(s) Cleomeolide acetate
CAS Registry Number 72190-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-14-8-9-18-13-19(25-16(3)23)22(5)11-6-7-17(20(24)26-22)10-12-21(14,4)15(18)2/h7,14,18-19H,2,6,8-13H2,1,3-5H3/t14?,18-,19?,21-,22+/m1/s1
InChIKey UODYRJBOCCRFPV-ZQVZDODDSA-N
Molecular Weight 360.494 g/mol
SMILES C12=CCC[C@](OC2=O)(C(C[C@@]2(C([C@](C(CC2)C)(C)CC1)=C)[H])OC(C)=O)C
SPLASH splash10-05g4-4900000000-b887b1b90abd858772de
Source of Spectrum C-101-4723-0
Wiley ID 1348536