β-D-Glucopyranosiduronic acid, (15α)-3,17-dioxoestr-4-en-15-yl

CAS Registry Number®

131749-23-0

CAS Name

β-D-Glucopyranosiduronic acid, (15α)-3,17-dioxoestr-4-en-15-yl

Molecular Formula

C24H32O9

Molecular Mass

464.51

Cite this Page

β-D-Glucopyranosiduronic acid, (15α)-3,17-dioxoestr-4-en-15-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131749-23-0 (retrieved 2025-02-19) (CAS RN: 131749-23-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)26)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1

InChIKey

InChIKey=ADQUXZRKOKKULD-CZOXBATISA-N

SMILES

O([C@@H]1[C@]2([C@]3([C@@]([C@@]4(C(CC3)=CC(=O)CC4)[H])(CC[C@]2(C)C(=O)C1)[H])[H])[H])[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(O)C1OC(OC2CC(=O)C3(C)CCC4C5C(=CC(=O)CC5)CCC4C23)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (15α)-3,17-dioxoestr-4-en-15-yl
  • Estrane, β-D-glucopyranosiduronic acid deriv.