Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-, compd. with α-cyclodextrin (1:1)

CAS Registry Number®

55648-20-9

CAS Name

Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-, compd. with α-cyclodextrin (1:1)

Molecular Formula

C36H60O30.C20H34O5

Cite this Page

Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-, compd. with α-cyclodextrin (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93591-00-5 (retrieved 2024-11-24) (CAS RN: 55648-20-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H60O30.C20H34O5/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44;1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h7-54H,1-6H2;12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b;13-12+/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-;15-,16+,17+,19+/m10/s1

InChIKey

InChIKey=LYRPNNXUPAXZGU-OJQZDGIKSA-N

SMILES

C(O)[C@@H]1[C@@]2([C@H](O)[C@@H](O)[C@](O1)(O[C@@]3([C@@H](CO)O[C@@]([C@H](O)[C@H]3O)(O[C@@]4([C@@H](CO)O[C@@]([C@H](O)[C@H]4O)(O[C@]5([C@H](O)[C@@H](O)[C@@](O[C@]6([C@H](O)[C@@H](O)[C@@](O[C@]7([C@H](O)[C@@H](O)[C@@](O2)(O[C@@H]7CO)[H])[H])(O[C@@H]6CO)[H])[H])(O[C@@H]5CO)[H])[H])[H])[H])[H])[H])[H])[H].C(CCCCCC(O)=O)[C@@H]1[C@@H](/C=C/[C@H](CCCCC)O)[C@H](O)CC1=O

Canonical SMILES

O=C(O)CCCCCCC1C(=O)CC(O)C1C=CC(O)CCCCC.OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC1C(O)C2O

Other Names for this Substance

  • Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-, compd. with α-cyclodextrin (1:1)
  • α-Cyclodextrin, compd. with (11α,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid (1:1)
  • 2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, α-cyclodextrin deriv.
  • Prostaglandin E1-α-cyclodextrin compd.
  • PGE1-α-cyclodextrin inclusion compd.

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Deleted or Replaced CAS Registry Numbers

93591-00-5

CAS INSIGHTSTM
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