Retinoyl β-glucuronide

CAS Registry Number®

401-10-5

CAS Name

Retinoyl β-glucuronide

Molecular Formula

C26H36O8

Molecular Mass

476.56

Cite this Page

Retinoyl β-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=401-10-5 (retrieved 2024-11-22) (CAS RN: 401-10-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142-143 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1

InChIKey

InChIKey=MTGFYEHKPMOVNE-NEFMKCFNSA-N

SMILES

O(C(/C=C(/C=C/C=C(/C=C/C=1C(C)(C)CCCC1C)\C)\C)=O)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-retinoate
  • Retinoic acid, 1-ester with β-D-glucopyranosiduronic acid
  • Retinoic acid, 1-ester with glucopyranuronic acid
  • Glucopyranosiduronic acid, 1-retinoate, β-D-
  • Retinoic acid, β-D-glucopyranuronic acid deriv.

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Deleted or Replaced CAS Registry Numbers

30259-72-4, 1004517-36-5

CAS INSIGHTSTM
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