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19-nor-Pregna-1,3,5(10),20-tetraen-3-O-.alpha.-fucopyranoside
SpectraBase Compound ID DzANTPIxsQE
InChI InChI=1S/C26H36O5/c1-4-16-6-10-21-20-8-5-15-13-17(7-9-18(15)19(20)11-12-26(16,21)3)31-25-24(29)23(28)22(27)14(2)30-25/h4,7,9,13-14,16,19-25,27-29H,1,5-6,8,10-12H2,2-3H3/t14-,16+,19?,20?,21?,22?,23-,24-,25?,26-/m1/s1
InChIKey DIHZVXVKAFEJPN-PBRKBELYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJge7qedq9F
Name 19-nor-Pregna-1,3,5(10),20-tetraen-3-O-.alpha.-fucopyranoside
Alternate Name(s) 2-[[(13R,17R)-17-ethenyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyloxane-3,4,5-triol 2-[[(13R,17R)-17-ethenyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-oxane-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-4-16-6-10-21-20-8-5-15-13-17(7-9-18(15)19(20)11-12-26(16,21)3)31-25-24(29)23(28)22(27)14(2)30-25/h4,7,9,13-14,16,19-25,27-29H,1,5-6,8,10-12H2,2-3H3/t14-,16+,19?,20?,21?,22?,23-,24-,25?,26-/m1/s1
InChIKey DIHZVXVKAFEJPN-PBRKBELYSA-N
Molecular Weight 428.569 g/mol
SMILES O[C@@]1(C([C@](OC([C@@]1(O)[H])Oc1cc2CCC3C4CC[C@@]([C@]4(CCC3c2cc1)C)(C=C)[H])(C)[H])O)[H]
SPLASH splash10-03e9-1190000000-3060676a3e05c39b1ea9
Source of Spectrum G4-62-320-3
Wiley ID 1607759