Nonanoic acid, 9-[[4-[hexahydro-3,8-dihydroxy-2-(2-hydroxy-1-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-1-oxo-2-butenyl]oxy]-, monosodium salt, [2R-[2α(1S*,2S*),3β,4aα,7β(E),8α,8aβ]]-

CAS Registry Number®

116182-44-6
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CAS Name

Nonanoic acid, 9-[[4-[hexahydro-3,8-dihydroxy-2-(2-hydroxy-1-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-1-oxo-2-butenyl]oxy]-, monosodium salt, [2R-[2α(1S*,2S*),3β,4aα,7β(E),8α,8aβ]]-

Molecular Formula

C26H44O9.Na

Cite this Page

Nonanoic acid, 9-[[4-[hexahydro-3,8-dihydroxy-2-(2-hydroxy-1-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-1-oxo-2-butenyl]oxy]-, monosodium salt, [2R-[2α(1S*,2S*),3β,4aα,7β(E),8α,8aβ]]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116182-44-6 (retrieved 2024-04-27) (CAS RN: 116182-44-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138-139 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C26H44O9.Na/c1-16(13-23(31)33-11-9-7-5-4-6-8-10-22(29)30)12-21-24(32)26-19(15-34-21)14-20(28)25(35-26)17(2)18(3)27;/h13,17-21,24-28,32H,4-12,14-15H2,1-3H3,(H,29,30);/b16-13+;/t17-,18-,19-,20-,21-,24-,25+,26+;/m0./s1

InChIKey

InChIKey=SQSSXIHTIVZMNI-WENNQWSDSA-N

SMILES

O[C@@H]1[C@]2([C@@](C[C@H](O)[C@@]([C@H]([C@H](C)O)C)(O2)[H])(CO[C@H]1C/C(=C/C(OCCCCCCCCC(O)=O)=O)/C)[H])[H].[Na]

Canonical SMILES

[Na].O=C(O)CCCCCCCCOC(=O)C=C(C)CC1OCC2CC(O)C(OC2C1O)C(C)C(O)C

Other Names for this Substance

  • Nonanoic acid, 9-[[4-[hexahydro-3,8-dihydroxy-2-(2-hydroxy-1-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-1-oxo-2-butenyl]oxy]-, monosodium salt, [2R-[2α(1S*,2S*),3β,4aα,7β(E),8α,8aβ]]-
  • 2H,5H-Pyrano[4,3-b]pyran, nonanoic acid deriv.

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