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17β-Estradiol 17-valerate
SpectraBase Compound ID 39LdkjHtjgO
InChI InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
InChIKey RSEPBGGWRJCQGY-RBRWEJTLSA-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 GDxpNZjyqcH
Name (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
InChIKey RSEPBGGWRJCQGY-RBRWEJTLSA-N
Instrument Name TRIO-2 VG Masslab Shimadzu QP-5000 and Finnigan TSQ70
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.c12
Molecular Weight 356.506 g/mol
SMILES Oc1cc2c(cc1)[C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(OC(=O)CCCC)[H])C)[H])[H])[H]
SPLASH splash10-0a4i-9004000000-f37ef1104339b18a8bcb
Source of Spectrum ARK-2005-183-3a
Wiley ID 1870907