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(1R,2R,6S,7S,8S)-6-(Benzoyloxy)-8-isopropyl-7-methylTricyclo[5.3.0.0(2,6)]-3-decanone
SpectraBase Compound ID K3BnCIqxCuU
InChI InChI=1S/C21H26O3/c1-13(2)15-9-11-20(3)17(15)21(12-10-16(22)18(20)21)24-19(23)14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3/t15-,17-,18?,20+,21-/m0/s1
InChIKey HTBHHSYEJHELBF-ZIKJWUTGSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rM7xoP0OY2
Name (1R,2R,6S,7S,8S)-6-(Benzoyloxy)-8-isopropyl-7-methylTricyclo[5.3.0.0(2,6)]-3-decanone
CAS Registry Number 142896-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-13(2)15-9-11-20(3)17(15)21(12-10-16(22)18(20)21)24-19(23)14-7-5-4-6-8-14/h4-8,13,15,17-18H,9-12H2,1-3H3/t15-,17-,18?,20+,21-/m0/s1
InChIKey HTBHHSYEJHELBF-ZIKJWUTGSA-N
Molecular Weight 326.436 g/mol
SMILES [C@@]12([C@]3([C@@](CC[C@]3(C2C(=O)CC1)C)(C(C)C)[H])[H])OC(=O)c1ccccc1
SPLASH splash10-0a4i-5900000000-f3e77409508a17d12004
Source of Spectrum J-57-5374-0
Synonyms (1R,6S,7S,8S)-6-(Benzoyloxy)-8-isopropyl-1-methylTricyclo[5.3.0.0(2,6)]-3-decanone (3S,3aS,3bS,6aR,6bR)-3-isopropyl-3a-methyl-6-oxooctahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopenten-3b(1H)-yl benzoate
Wiley ID 1325115