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17.alpha.-(Hydroxymethyl)-3,3-(ethylenedioxy)-5(10),9(11)-estradien-17.beta.-ol
SpectraBase Compound ID J2mHlUcGOto
InChI InChI=1S/C21H30O4/c1-19-7-4-16-15-5-9-21(24-10-11-25-21)12-14(15)2-3-17(16)18(19)6-8-20(19,23)13-22/h4,17-18,22-23H,2-3,5-13H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey HABCMZVENQXARF-FUMNGEBKSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9urRGe3JcpV
Name 17.alpha.-(Hydroxymethyl)-3,3-(ethylenedioxy)-5(10),9(11)-estradien-17.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-19-7-4-16-15-5-9-21(24-10-11-25-21)12-14(15)2-3-17(16)18(19)6-8-20(19,23)13-22/h4,17-18,22-23H,2-3,5-13H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey HABCMZVENQXARF-FUMNGEBKSA-N
Molecular Weight 346.467 g/mol
SMILES O[C@]1(CO)[C@]2(CC=C3C4=C(CC5(CC4)OCCO5)CC[C@]3([C@@]2(CC1)[H])[H])C
SPLASH splash10-006w-6291000000-5e4689e2fbee00b9d3ef
Source of Spectrum E1-35-2126-46
Synonyms (10'S,11'S,14'S,15'S)-14'-(hydroxymethyl)-15'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-1'(17'),2'(7')-dien-14'-ol
Wiley ID 1574335