2-Methoxy-estradiol-17beta 3-glucuronide
Molecular Formula:
C25H34O9
InChI: InChI=1/C25H34O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,18-22,24,26-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,18-,19-,20-,21+,22-,24+,25-/m0/s1/f/h30H
InChIKey: InChIKey=LLCPFVIBUZJITJ-JVYJQOGXDG
SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)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)c(OC)cc24
Names:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8S,9S,13S,14S,17S)-17-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
2-Methoxy-estradiol-17beta 3-glucuronide
2-methoxy-17beta-estradiol 3-glucuronide
Registries:
PubChem CID 443076
ChEBI 36491
Kegg C11131
PubChem ID 10299193
PubChem ID 13313
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