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(new2) (7,-(1R,4aR,4bR,10aR)-Isopropyl-1',4'a-dimethyl-1',2',3',4',4'a,4'b,5',6',10',10'a-decahydrophenanthren-1'-yl)ethanone

View entire compound with spectra: 1 MS (GC)

(new2) (7,-(1R,4aR,4bR,10aR)-Isopropyl-1',4'a-dimethyl-1',2',3',4',4'a,4'b,5',6',10',10'a-decahydrophenanthren-1'-yl)ethanone
SpectraBase Compound ID 5nKU01Az28C
InChI InChI=1S/C21H32O/c1-14(2)16-7-9-18-17(13-16)8-10-19-20(4,15(3)22)11-6-12-21(18,19)5/h8,13-14,18-19H,6-7,9-12H2,1-5H3/t18-,19-,20-,21+/m0/s1
InChIKey VLFGPEDJHMZIIS-XSDIEEQYSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PhmS7ebIRg
Name (new2) (7,-(1R,4aR,4bR,10aR)-Isopropyl-1',4'a-dimethyl-1',2',3',4',4'a,4'b,5',6',10',10'a-decahydrophenanthren-1'-yl)ethanone
Alternate Name(s) 1-(7'-Isopropyl-1',4'a-dimethyl-1',2',3',4',4'a,4'b,5',6',10',10'a-decahydrophenanthren-1'-yl)ethanone 1-[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-14(2)16-7-9-18-17(13-16)8-10-19-20(4,15(3)22)11-6-12-21(18,19)5/h8,13-14,18-19H,6-7,9-12H2,1-5H3/t18-,19-,20-,21+/m0/s1
InChIKey VLFGPEDJHMZIIS-XSDIEEQYSA-N
Molecular Weight 300.486 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)C)(C)CCC2)(CC=C2[C@@]1(CCC(=C2)C(C)C)[H])[H])C
SPLASH splash10-0uxr-0709000000-e5548c6b1dc437d6ba59
Source of Spectrum AH-139-702-2
Wiley ID 1695709