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3,3-ethylenedioxy-16-methylpregna-5,16-diene-20-acetate
SpectraBase Compound ID CpNMLIDnupT
InChI InChI=1S/C26H38O4/c1-16-14-22-20-7-6-19-15-26(28-12-13-29-26)11-10-24(19,4)21(20)8-9-25(22,5)23(16)17(2)30-18(3)27/h6,17,20-22H,7-15H2,1-5H3/t17?,20-,21+,22+,24+,25+/m1/s1
InChIKey VUWKEKUGGLWYJU-BMFAWWEDSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1821O2qvFC
Name 3,3-ethylenedioxy-16-methylpregna-5,16-diene-20-acetate
CAS Registry Number 115040-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-16-14-22-20-7-6-19-15-26(28-12-13-29-26)11-10-24(19,4)21(20)8-9-25(22,5)23(16)17(2)30-18(3)27/h6,17,20-22H,7-15H2,1-5H3/t17?,20-,21+,22+,24+,25+/m1/s1
InChIKey VUWKEKUGGLWYJU-BMFAWWEDSA-N
Molecular Weight 414.586 g/mol
SMILES [C@@]12(C(=C(C)C[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CCC1(OCCO1)C3)C)[H])[H])C(OC(=O)C)C)C
SPLASH splash10-0pdi-9500000000-2ef00edbe336b809aa29
Source of Spectrum F-43-3834-11
Synonyms 1-[(1'S,2'R,10'R,11'S,15'S)-2',13',15'-trimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-7',13'-dien-14'-yl]ethyl acetate
Wiley ID 1375622