Estradiol 17β-glucuronide
CAS Registry Number®
1806-98-0
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CAS Name
Estradiol 17β-glucuronideMolecular Formula
C24H32O8Molecular Mass
448.51Cite this Page
Estradiol 17β-glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1806-98-0 (retrieved ) (CAS RN: 1806-98-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
198-202 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey
InChIKey=MTKNDAQYHASLID-QXYWQCSFSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)[H]
Canonical SMILES
O=C(O)C1OC(OC2CCC3C4CCC5=CC(O)=CC=C5C4CCC23C)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl
- Glucopyranosiduronic acid, 3-hydroxyestra-1,3,5(10)-trien-17β-yl, β-D-
- Estrane, β-D-glucopyranosiduronic acid deriv.
- (17β)-3-Hydroxyestra-1,3,5(10)-trien-17-yl β-D-glucopyranosiduronic acid
- Estradiol 17β-glucuronide
Deleted or Replaced CAS Registry Numbers
125926-20-7, 27851-73-6, 30137-07-6, 21809-48-3, 21809-63-2
