3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,5-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-8,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone

CAS Registry Number®

252210-57-4

CAS Name

3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,5-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-8,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone

Molecular Formula

C37H66O8

Molecular Mass

638.92

Cite this Page

3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,5-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-8,13-dihydroxytridecyl]-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=252210-57-4 (retrieved 2024-11-14) (CAS RN: 252210-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H66O8/c1-3-4-5-10-16-30(39)19-14-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-13-12-18-29(38)17-11-8-6-7-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27?,29?,30?,31-,32+,33-,34-,35-,36-/m1/s1

InChIKey

InChIKey=AFKUAQRKQMVATG-UHYBWJLZSA-N

SMILES

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

Canonical SMILES

O=C1OC(C=C1CCCCCCCC(O)CCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCC(O)CCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,5-dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-8,13-dihydroxytridecyl]-5-methyl-
  • 2(5H)-Furanone, 3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,5-dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-8,13-dihydroxytridecyl]-5-methyl-, (5S)-
  • 3-[(13R)-13-[(2R,2′R,5R,5′R)-5′-[(1S)-1,5-Dihydroxyundecyl]octahydro[2,2′-bifuran]-5-yl]-8,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone
  • Rollimusin

CAS INSIGHTSTM
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