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(2S,3S,4S,5R,6R)-6-[[(13S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Compound with spectra: 1 NMR

(2S,3S,4S,5R,6R)-6-[[(13S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SpectraBase Compound ID BATK7I8QSpe
InChI InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13?,14?,15?,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1
InChIKey CZGFLAQOJPXVRV-XYACWVDXSA-N
Mol Weight 464.5 g/mol
Molecular Formula C24H32O9
Exact Mass 464.204633 g/mol
Enantiomer InChIKey CZGFLAQOJPXVRV-VBRRTASMSA-N

View Spectrum of (2S,3S,4S,5R,6R)-6-[[(13S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
FQYGGFDZJFIDPU-WTSDUJKYSA-N
3-Hydroxy-16,17-(PFP)2 of E-3,16.alpha.,17.beta.-triol
3-Methoxy-2'-(4"-nitrrophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
3-Methoxy-2'-(4"-methylphenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
3-Methoxy-2'-(4"-bromophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
3-Methoxy-2'-(4"-chlorophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
3-Methoxy-2'-(4"-methoxyphenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
3-TBDMS-16,17-(TFA)2 of e-3,16.alpha.,17.beta.-triol
16-(Acetyloxy)-2-nitro-3-[(trimethylsilyl)oxy]estra-1(10),2,4-trien-17-yl acetate
3-Methoxy-2'-phenyl-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
Title Journal or Book Year
X-Ray crystal structure analysis and 13C NMR investigation of estriol 16- and 17-monoglucuronide derivatives Journal of the Chemical Society, Perkin Transactions 2 1996
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