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17a.beta.-Acetoxy-3-methoxy-6-oxa-D-homoestra-1,3,5(10)-triene
SpectraBase Compound ID FS05bBCjqam
InChI InChI=1S/C21H28O4/c1-13(22)25-20-6-4-5-18-17-12-24-19-11-14(23-3)7-8-16(19)15(17)9-10-21(18,20)2/h7-8,11,15,17-18,20H,4-6,9-10,12H2,1-3H3/t15-,17?,18+,20-,21?/m0/s1
InChIKey XMBQGTZXWFAVLH-ZIIVORIMSA-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 5t71V4k18jn
Name 17a.beta.-Acetoxy-3-methoxy-6-oxa-D-homoestra-1,3,5(10)-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-13(22)25-20-6-4-5-18-17-12-24-19-11-14(23-3)7-8-16(19)15(17)9-10-21(18,20)2/h7-8,11,15,17-18,20H,4-6,9-10,12H2,1-3H3/t15-,17?,18+,20-,21?/m0/s1
InChIKey XMBQGTZXWFAVLH-ZIIVORIMSA-N
Molecular Weight 344.451 g/mol
SMILES C12([C@@](C3COc4c([C@@]3(CC2)[H])ccc(OC)c4)(CCC[C@@]1(OC(=O)C)[H])[H])C
SPLASH splash10-01rl-0924000000-7b570b8faa9cda75e985
Source of Spectrum O1-34-1298-4
Synonyms (1S,4aR,10bR)-8-methoxy-12a-methyl-2,3,4,4a,4b,5,10b,11,12,12a-decahydro-1H-naphtho[1,2-c]chromen-1-yl acetate
Wiley ID 819456