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4,4-Dimethylandrost-5,7-dien-16.beta.-yl benzoate
SpectraBase Compound ID HBRtZn4iNWE
InChI InChI=1S/C28H36O2/c1-26(2)14-8-15-28(4)22-13-16-27(3)18-20(17-23(27)21(22)11-12-24(26)28)30-25(29)19-9-6-5-7-10-19/h5-7,9-12,20,22-23H,8,13-18H2,1-4H3/t20-,22?,23?,27+,28+/m0/s1
InChIKey KXCZFLKVYGYYTJ-VNRSNJCPSA-N
Mol Weight 404.6 g/mol
Molecular Formula C28H36O2
Exact Mass 404.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUTVS1teQdq
Name 4,4-Dimethylandrost-5,7-dien-16.beta.-yl benzoate
CAS Registry Number 81535-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O2
InChI InChI=1S/C28H36O2/c1-26(2)14-8-15-28(4)22-13-16-27(3)18-20(17-23(27)21(22)11-12-24(26)28)30-25(29)19-9-6-5-7-10-19/h5-7,9-12,20,22-23H,8,13-18H2,1-4H3/t20-,22?,23?,27+,28+/m0/s1
InChIKey KXCZFLKVYGYYTJ-VNRSNJCPSA-N
Molecular Weight 404.594 g/mol
SMILES C1=2C([C@]3(CCCC(C3=CC2)(C)C)C)CC[C@]2(C1C[C@](OC(=O)c1ccccc1)(C2)[H])C
SPLASH splash10-05mk-0960300000-5bd38122fee15442ac3d
Source of Spectrum J-47-2539-0
Synonyms (16beta)-4,4-dimethylandrosta-5,7-dien-16-yl benzoate
Wiley ID 1371606