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Pregn-9(11)-en-3-one, 18,20-dihydroxy-, cyclic 1,2-ethanediyl acetal, (5.alpha.,20R)-
SpectraBase Compound ID LB17eVTxaw8
InChI InChI=1S/C23H36O4/c1-15(25)18-5-6-20-17-4-3-16-13-23(26-11-12-27-23)10-9-21(16,2)19(17)7-8-22(18,20)14-24/h7,15-18,20,24-25H,3-6,8-14H2,1-2H3/t15-,16+,17-,18-,20+,21+,22+/m1/s1
InChIKey ZDKQBCJUTHIQPH-IGUHIKQPSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7iMcUiMkgy
Name PREGN-9(11)-EN-3-ONE, 18,20-DIHYDROXY-, CYCLIC 1,2-ETHANEDIYL ACETAL, (5.ALPHA.,20R)-
CAS Registry Number 39766-63-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-15(25)18-5-6-20-17-4-3-16-13-23(26-11-12-27-23)10-9-21(16,2)19(17)7-8-22(18,20)14-24/h7,15-18,20,24-25H,3-6,8-14H2,1-2H3/t15-,16+,17-,18-,20+,21+,22+/m1/s1
InChIKey ZDKQBCJUTHIQPH-IGUHIKQPSA-N
Molecular Weight 376.537 g/mol
Nominal Mass 376 u
Number of Peaks 299
SMILES O[C@@]([C@@]1([C@@]2(CO)CC=C3[C@]4(CCC5(C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])OCCO5)C)[H])(C)[H]
SPLASH splash10-0002-6942000000-1e4775c02414e6405296
Source File Reference LMCM-94644-356Q
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (5.ALPHA.,20R)-18,20-DIHYDROXY-PREGN-9(11)-ENE, 3,3-ETHYLENDIOXY- (1R)-1-[(2'S,7'S,10'S,11'S,14'S,15'R)-15'-(hydroxymethyl)-2'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-1'(17')-en-14'-yl]ethan-1-ol
Wiley ID 8_19505