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Estra-1,3,5(10)-trien-17-one, 3,11-dihydroxy-, (11.beta.)-
SpectraBase Compound ID 9kFRDOsEcQl
InChI InChI=1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-15,17,19-20H,2,4,6-7,9H2,1H3
InChIKey IGSYRIQHXYIOHU-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vpSlC9Jlhf
Name Estra-1,3,5(10)-trien-17-one, 3,11-dihydroxy-, (11.beta.)-
CAS Registry Number 6803-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-15,17,19-20H,2,4,6-7,9H2,1H3
InChIKey IGSYRIQHXYIOHU-UHFFFAOYSA-N
Molecular Weight 286.371 g/mol
SMILES OC1C2C(CCc3c2ccc(c3)O)C2CCC(C2(C1)C)=O
SPLASH splash10-000j-1970000000-0df30c0f123fe8d42c63
Source of Spectrum W5-25736-0-0
Synonyms 3,11-Dihydroxyestra-1,3,5(10)-trien-17-one 11-Hydroxy-9-estrone 11-Hydroxyestrone 13-Methyl-3,11-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 3,11-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one NSC 97864
Wiley ID 1290155