Octanoyl-β-D-glucuronide

CAS Registry Number®

99910-55-1

CAS Name

Octanoyl-β-D-glucuronide

Molecular Formula

C14H24O8

Molecular Mass

320.34

Cite this Page

Octanoyl-β-D-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99910-55-1 (retrieved 2024-12-23) (CAS RN: 99910-55-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H24O8/c1-2-3-4-5-6-7-8(15)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h9-12,14,16-18H,2-7H2,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1

InChIKey

InChIKey=ASFORWUCPCKFPY-BYNIDDHOSA-N

SMILES

O(C(CCCCCCC)=O)[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

O=C(O)C1OC(OC(=O)CCCCCCC)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-octanoate
  • Octanoyl-β-D-glucuronide

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