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7-nor-Pregn-5-ene-3.beta.,20-diyl 3-Acetate 20-Benzoate
SpectraBase Compound ID 7u5ExseCoXc
InChI InChI=1S/C29H38O4/c1-18(32-27(31)20-8-6-5-7-9-20)24-10-11-25-23-17-21-16-22(33-19(2)30)12-14-28(21,3)26(23)13-15-29(24,25)4/h5-9,17-18,22-26H,10-16H2,1-4H3/t18-,22+,23?,24?,25?,26?,28+,29-/m1/s1
InChIKey VUMLPFVZYKCPCX-ZJOVEKNFSA-N
Mol Weight 450.6 g/mol
Molecular Formula C29H38O4
Exact Mass 450.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmFZ5KN2Pdc
Name 7-nor-Pregn-5-ene-3.beta.,20-diyl 3-Acetate 20-Benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O4
InChI InChI=1S/C29H38O4/c1-18(32-27(31)20-8-6-5-7-9-20)24-10-11-25-23-17-21-16-22(33-19(2)30)12-14-28(21,3)26(23)13-15-29(24,25)4/h5-9,17-18,22-26H,10-16H2,1-4H3/t18-,22+,23?,24?,25?,26?,28+,29-/m1/s1
InChIKey VUMLPFVZYKCPCX-ZJOVEKNFSA-N
Molecular Weight 450.619 g/mol
SMILES C1=2[C@@](C3CC[C@]4(C(C3C2)CCC4[C@](OC(=O)c2ccccc2)(C)[H])C)(CC[C@](OC(=O)C)(C1)[H])C
SPLASH splash10-014i-0091000000-cd61ef8c8f7a6923507a
Source of Spectrum G-64-1475-7
Synonyms (1R)-1-[(3aS,5bR,8S)-8-(acetyloxy)-3a,5b-dimethyl-1,2,3,3a,4,5,5a,5b,6,7,8,9,10a,10b-tetradecahydrocyclopenta[a]fluoren-3-yl]ethyl benzoate
Wiley ID 749583