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3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl acetate
SpectraBase Compound ID DTaxno56gcE
InChI InChI=1S/C21H28O4/c1-12(22)25-20-7-6-17-15-5-4-13-10-18(23)19(24-3)11-16(13)14(15)8-9-21(17,20)2/h10-11,14-15,17,20,23H,4-9H2,1-3H3
InChIKey FNDJSFVQDASQOM-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDXJgpdRpLA
Name 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl acetate
CAS Registry Number 52717-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12(22)25-20-7-6-17-15-5-4-13-10-18(23)19(24-3)11-16(13)14(15)8-9-21(17,20)2/h10-11,14-15,17,20,23H,4-9H2,1-3H3
InChIKey FNDJSFVQDASQOM-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES Oc1cc2c(cc1OC)C1C(CC2)C2C(CC1)(C(CC2)OC(C)=O)C
SPLASH splash10-0006-0549000000-609f27ad184f2abd004b
Source of Spectrum NP-12-4487-0
Synonyms 2-Methoxy-estradiol-17.beta.-17-acetate (3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (2-methoxy-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate
Wiley ID 1110321