β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

CAS Registry Number®

261506-28-9
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CAS Name

β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

Molecular Formula

C38H55F5O9S

Molecular Mass

782.89

Cite this Page

β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=261506-28-9 (retrieved 2024-04-16) (CAS RN: 261506-28-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H55F5O9S/c1-36-17-15-26-25-12-11-24(44)21-23(25)20-22(10-7-5-3-2-4-6-8-18-53(50)19-9-16-37(39,40)38(41,42)43)29(26)27(36)13-14-28(36)51-35-32(47)30(45)31(46)33(52-35)34(48)49/h11-12,21-22,26-33,35,44-47H,2-10,13-20H2,1H3,(H,48,49)/t22-,26-,27+,28+,29-,30+,31+,32-,33+,35-,36+,53?/m1/s1

InChIKey

InChIKey=HBEHXEHXMWPSKO-HMGPPUQISA-N

SMILES

C(CCCCCCCCS(CCCC(C(F)(F)F)(F)F)=O)[C@H]1[C@]2([C@]3([C@@](C)([C@@H](O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)CC3)CC[C@@]2(C=5C(C1)=CC(O)=CC5)[H])[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3C4C(C5=CC=C(O)C=C5CC4CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CCC23C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (7α,17β)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-yl

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