rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone

CAS Registry Number®

138551-27-6

CAS Name

rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone

Molecular Formula

C37H66O7

Molecular Mass

622.92

Cite this Page

rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138551-27-6 (retrieved 2025-01-07) (CAS RN: 138551-27-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    31-32 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-13-19-30(38)20-16-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-15-12-10-8-6-5-7-9-11-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28?,30?,31-,32+,33-,34-,35-,36-/m1/s1

InChIKey

InChIKey=XZNOZEYKFBKGEY-YXJOTKONSA-N

SMILES

[C@@H](CCCCC(CCCCC)O)(O)[C@@]1(O[C@](CC1)([C@@]2(O[C@@]([C@@H](CCCCCCCCCCCCC=3C(=O)OC(C)C3)O)(CC2)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCC(O)CCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-, rel-
  • rel-3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,6-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone
  • Motrilin

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