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17.BETA.-ACETOXY-3-ETHYLENDIOXY-5.ALPHA.-ANDROSTAN
SpectraBase Compound ID 87VkCvrUrlN
InChI InChI=1S/C23H36O4/c1-15(25)27-21-7-6-19-18-5-4-16-14-17(26-13-12-24)8-10-22(16,2)20(18)9-11-23(19,21)3/h12-13,16-21,24H,4-11,14H2,1-3H3/b13-12+/t16-,17?,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey WNVDNOWFQILURU-PUNXHAJCSA-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 3Nikt51SmIW
Name 17.BETA.-ACETOXY-3-ETHYLENDIOXY-5.ALPHA.-ANDROSTAN
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-15(25)27-21-7-6-19-18-5-4-16-14-17(26-13-12-24)8-10-22(16,2)20(18)9-11-23(19,21)3/h12-13,16-21,24H,4-11,14H2,1-3H3/b13-12+/t16-,17?,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey WNVDNOWFQILURU-PUNXHAJCSA-N
Molecular Weight 376.537 g/mol
Nominal Mass 376 u
Number of Peaks 24
SMILES O\C=C\OC1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(OC(=O)C)[H])C)[H])C
SPLASH splash10-002b-9401000000-a0d1981a3709e1b51359
Source File Reference LMCM-59476-251W
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3-{[2-HYDROXYETHENYL]OXY}ANDROSTAN-17-YL ACETATE (5R,8R,9S,10S,13S,14S,17S)-3-((E)-2-hydroxyvinyloxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Wiley ID 4_480