(2S,3S,4S,5R,6S)-6-[[(8S,9S,13S,14S,17R)-17-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
Molecular Formula:
C32H45NO13
InChI: InChI=1/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17-,18-,19+,20-,21-,22-,23-,24-,25+,26+,27-,28+,30+,31-,32+/m1/s1/f/h33,41H
InChIKey: InChIKey=BHYDXVJSMVVTCR-PIWJLRNTDQ
SMILES: [H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc24)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O
Names:
(2S,3S,4S,5R,6S)-6-[[(8S,9S,13S,14S,17R)-17-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-D-glucosiduronic acid
17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
17α-(N-acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
Registries:
PubChem CID 5460168
ChEBI 16129
Kegg C04806
PubChem ID 11688204
PubChem ID 7368
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