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7H-Cyclopenta[7,8]phenanthro[1,2-b]-1,4-dioxin, estra-1,3,5(10)-triene-2-carboxaldehyde deriv.
SpectraBase Compound ID a0SBawroyH
InChI InChI=1S/C21H26O4/c1-21-7-6-13-14(17(21)4-5-18(21)23)2-3-15-16(13)10-12(11-22)19-20(15)25-9-8-24-19/h10-11,13-14,17-18,23H,2-9H2,1H3/t13-,14+,17-,18-,21-/m0/s1
InChIKey JAEQYSFHACIWGX-YVYUEDBGSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JI5kw6aJhqW
Name 7H-Cyclopenta[7,8]phenanthro[1,2-b]-1,4-dioxin, estra-1,3,5(10)-triene-2-carboxaldehyde deriv.
Alternate Name(s) Estra-1,3,5(10)-triene-2-carboxaldehyde, 3,4-[1,2-ethanediylbis(oxy)]-17-hydroxy-, (17.beta.)- (6bS,8aS,9S,11aS,11bR)-9-hydroxy-8a-methyl-2,3,7,8,8a,9,10,11,11a,11b,12,13-dodecahydro-6bH-cyclopenta[7,8]phenanthro[1,2-b][1,4]dioxin-5-carbaldehyde 17.beta.-hydroxy-5',6'-dihydroestra-1,3,5(10)-trieno[3,4-b]1',4'-dioxin-2-carbaldehyde
CAS Registry Number 123764-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-21-7-6-13-14(17(21)4-5-18(21)23)2-3-15-16(13)10-12(11-22)19-20(15)25-9-8-24-19/h10-11,13-14,17-18,23H,2-9H2,1H3/t13-,14+,17-,18-,21-/m0/s1
InChIKey JAEQYSFHACIWGX-YVYUEDBGSA-N
Molecular Weight 342.435 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3(c4c(c5OCCOc5c(c4)C=O)CC[C@]3([C@@]2(CC1)[H])[H])[H])C)[H]
SPLASH splash10-0006-3019000000-815282cb1cc117753076
Source of Spectrum B-42-432-24
Wiley ID 1336796