β-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10),7-tetraen-3-yl, monosodium salt
CAS Registry Number®
27610-12-4
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CAS Name
β-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10),7-tetraen-3-yl, monosodium saltMolecular Formula
C24H28O8.NaCite this Page
β-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10),7-tetraen-3-yl, monosodium salt. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27610-12-4 (retrieved ) (CAS RN: 27610-12-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H28O8.Na/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3-5,10,14,16,18-21,23,26-28H,2,6-9H2,1H3,(H,29,30);/t14-,16+,18+,19+,20-,21+,23-,24+;/m1./s1
InChIKey
InChIKey=QIPSWQQUVHTRPD-FWXKPSQYSA-N
SMILES
C[C@@]12[C@](C=3[C@@](C=4C(CC3)=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=CC4)(CC1)[H])(CCC2=O)[H].[Na]
Canonical SMILES
[Na].O=C(O)C1OC(OC2=CC=C3C(=C2)CC=C4C3CCC5(C(=O)CCC45)C)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10),7-tetraen-3-yl, monosodium salt
- Glucopyranosiduronic acid, 17-oxoestra-1,3,5(10),7-tetraen-3-yl, monosodium salt, β-D-
- Estrane, β-D-glucopyranosiduronic acid deriv.
Deleted or Replaced CAS Registry Numbers
11057-65-1
