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20.beta.,21-Diacetyloxy-pregna-4,6-dien-3-one

View entire compound with spectra: 1 MS (GC)

20.beta.,21-Diacetyloxy-pregna-4,6-dien-3-one
SpectraBase Compound ID CmDeB83BMP9
InChI InChI=1S/C25H34O5/c1-15(26)29-14-23(30-16(2)27)22-8-7-20-19-6-5-17-13-18(28)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,13,19-23H,7-12,14H2,1-4H3/t19?,20?,21?,22-,23+,24+,25+/m1/s1
InChIKey WSJJADQCPKDBNL-MHMBZOIGSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6I0SzMredDD
Name 20.beta.,21-Diacetyloxy-pregna-4,6-dien-3-one
Alternate Name(s) 20-(acetyloxy)-3-oxopregna-4,6-dien-21-yl acetate 20.beta.,21-Diacetylpregna-4,6-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O5
InChI InChI=1S/C25H34O5/c1-15(26)29-14-23(30-16(2)27)22-8-7-20-19-6-5-17-13-18(28)9-11-24(17,3)21(19)10-12-25(20,22)4/h5-6,13,19-23H,7-12,14H2,1-4H3/t19?,20?,21?,22-,23+,24+,25+/m1/s1
InChIKey WSJJADQCPKDBNL-MHMBZOIGSA-N
Molecular Weight 414.542 g/mol
SMILES [C@@]12(C(C3C=CC=4[C@@](C3CC2)(CCC(=O)C4)C)CC[C@@]1([C@@](OC(=O)C)(COC(=O)C)[H])[H])C
SPLASH splash10-004l-0090000000-d86d848a293858672b59
Source of Spectrum X2-68-1498-19
Wiley ID 1609734