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(1R*,2E,4R*,7E,11S*,12R*)-18-Acetoxy-2,7-dolabelladiene
SpectraBase Compound ID 4Px7mxBZB8A
InChI InChI=1S/C22H36O2/c1-16-8-7-9-17(2)12-14-22(6)15-13-19(20(22)11-10-16)21(4,5)24-18(3)23/h8,12,14,17,19-20H,7,9-11,13,15H2,1-6H3/b14-12+,16-8+/t17-,19-,20+,22+/m1/s1
InChIKey VIHYBRGBRJAHDB-KTKLQRHTSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Sjf3lVZyQz
Name (1R*,2E,4R*,7E,11S*,12R*)-18-Acetoxy-2,7-dolabelladiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-16-8-7-9-17(2)12-14-22(6)15-13-19(20(22)11-10-16)21(4,5)24-18(3)23/h8,12,14,17,19-20H,7,9-11,13,15H2,1-6H3/b14-12+,16-8+/t17-,19-,20+,22+/m1/s1
InChIKey VIHYBRGBRJAHDB-KTKLQRHTSA-N
Molecular Weight 332.528 g/mol
SMILES [C@]1([C@]2([C@](\C=C\[C@@](CC\C=C\(CC2)C)(C)[H])(C)CC1)[H])(C(OC(=O)C)(C)C)[H]
SPLASH splash10-002f-9710000000-f69a91842e8ed4df3039
Source of Spectrum F-53-8686-5
Synonyms Acetic acid 1-methyl-1-((4E,9E)-(3aR,6R,12aR)-3a,6,10-trimethyl-1,2,3,3a,6,7,8,11,12,12a-decahydro-cyclopentacycloundecen-1-yl)-ethyl ester
Wiley ID 802771