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(5.alpha.,8R)-4,4-Dimethyl-8,17-cyclo-13,17-secoandrost-13-en-17-one
SpectraBase Compound ID 3BIF0wJeuSI
InChI InChI=1S/C21H32O/c1-14-6-8-17-20(4)12-5-11-19(2,3)16(20)10-13-21(17)15(14)7-9-18(21)22/h16-17H,5-13H2,1-4H3/t16-,17+,20-,21-/m0/s1
InChIKey WFFIBONVYXKUFU-JWWGGVBKSA-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 5RzfTfcHL5K
Name (5.alpha.,8R)-4,4-Dimethyl-8,17-cyclo-13,17-secoandrost-13-en-17-one
Alternate Name(s) (6aR,8aS,12aS,12bR)-3,9,9,12a-tetramethyl-1,4,5,7,8,8a,9,10,11,12,12a,12b-dodecahydrocyclopenta[j]phenanthren-6(2H)-one
CAS Registry Number 66500-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-14-6-8-17-20(4)12-5-11-19(2,3)16(20)10-13-21(17)15(14)7-9-18(21)22/h16-17H,5-13H2,1-4H3/t16-,17+,20-,21-/m0/s1
InChIKey WFFIBONVYXKUFU-JWWGGVBKSA-N
Molecular Weight 300.486 g/mol
SMILES [C@]123[C@@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)(CCC(=C2CCC1=O)C)[H]
SPLASH splash10-0f79-0923000000-7976c221c51bd4fac827
Source of Spectrum J-47-2541-0
Wiley ID 1303472