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(1R,2R,6S,7R,10S)-6-(Benzoyloxy)-10-isopropyl-7-methylTricyclo[5.3.0.0(2,6)]-3-decanone
SpectraBase Compound ID H9Oy00XX7P2
InChI InChI=1S/C21H26O3/c1-13(2)15-9-11-20(3)17(15)18-16(22)10-12-21(18,20)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 HDPLYAOYVUNLDN-MAWREPJSSA-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 Lvj1Nr42O4q
Name (1R,2R,6S,7R,10S)-6-(Benzoyloxy)-10-isopropyl-7-methylTricyclo[5.3.0.0(2,6)]-3-decanone
Alternate Name(s) (1S,3aR,3bS,6aR,6bR)-1-isopropyl-3a-methyl-6-oxooctahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopenten-3b(1H)-yl benzoate
CAS Registry Number 142895-98-5
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)18-16(22)10-12-21(18,20)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 HDPLYAOYVUNLDN-MAWREPJSSA-N
Molecular Weight 326.436 g/mol
SMILES [C@]12([C@@]3(CC[C@]([C@@]3([C@]2(C(=O)CC1)[H])[H])(C(C)C)[H])C)OC(=O)c1ccccc1
SPLASH splash10-0a4i-3920000000-bcd44dc7d9c40fdfb891
Source of Spectrum J-57-5374-27
Wiley ID 1325116