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Estra-1,3,5(10)-triene-3,6,17-triol, triacetate, (6.beta.,17.beta.)-
SpectraBase Compound ID 1lTKaZhLWEy
InChI InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3
InChIKey LMXGPAGGDXVARU-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTlZCLUe34L
Name Estra-1,3,5(10)-triene-3,6,17-triol, triacetate, (6.beta.,17.beta.)-
CAS Registry Number 6944-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-13(25)28-16-5-6-17-18-9-10-24(4)21(7-8-23(24)30-15(3)27)19(18)12-22(20(17)11-16)29-14(2)26/h5-6,11,18-19,21-23H,7-10,12H2,1-4H3
InChIKey LMXGPAGGDXVARU-UHFFFAOYSA-N
Molecular Weight 414.498 g/mol
SMILES CC12C(C3C(c4c(C(C3)OC(C)=O)cc(OC(C)=O)cc4)CC2)CCC1OC(C)=O
SPLASH splash10-03di-0649000000-f8cc9a587197bf375c7f
Source of Spectrum W5-34162-31374-31374
Synonyms Estra-1,3,5(10)-triene-3,6,7-triol, triacetate, (6.alpha.,17.beta.)- 3,17-Bis(acetyloxy)estra-1,3,5(10)-trien-6-yl acetate (3,6-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate (3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate Acetic acid (3,6-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester Acetic acid (3,6-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester
Wiley ID 1375466