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Pregna-5,17(20)-diene-3,16-dione, cyclic 3-(1,2-ethanediyl acetal), (17E)-
SpectraBase Compound ID 4PkKPHshtqw
InChI InChI=1S/C23H32O3/c1-4-17-20(24)13-19-16-6-5-15-14-23(25-11-12-26-23)10-9-21(15,2)18(16)7-8-22(17,19)3/h4-5,16,18-19H,6-14H2,1-3H3/b17-4-/t16-,18+,19+,21+,22-/m1/s1
InChIKey RETSGCXZPHLYJD-UQPZSZJWSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1whMnzloAG
Name Pregna-5,17(20)-diene-3,16-dione, cyclic 3-(1,2-ethanediyl acetal), (17E)-
CAS Registry Number 115040-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-4-17-20(24)13-19-16-6-5-15-14-23(25-11-12-26-23)10-9-21(15,2)18(16)7-8-22(17,19)3/h4-5,16,18-19H,6-14H2,1-3H3/b17-4-/t16-,18+,19+,21+,22-/m1/s1
InChIKey RETSGCXZPHLYJD-UQPZSZJWSA-N
Molecular Weight 356.506 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC2(OCCO2)C4)C)[H])(CC(\C1=C/C)=O)[H])C
SPLASH splash10-0pb9-9500000000-e3823afd4ccb2a817b0d
Source of Spectrum F-43-3833-8
Synonyms Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane], pregna-5,17(20)-diene-3,16-dione deriv. (1'S,2'R,10'R,11'S,14'E,15'S)-14'-ethylidene-2',15'-dimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-7'-en-13'-one (E)-3,3-Ethylenedioxypregna-5,17(20)-dien-16-one
Wiley ID 1346160