(5S)-3-[(13R)-13-Hydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S,5S,6R)-1,5,6-trihydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone

CAS Registry Number®

187523-67-7

CAS Name

(5S)-3-[(13R)-13-Hydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S,5S,6R)-1,5,6-trihydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone

Molecular Formula

C37H66O8

Molecular Mass

638.92

Cite this Page

(5S)-3-[(13R)-13-Hydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S,5S,6R)-1,5,6-trihydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-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=187523-67-7 (retrieved 2024-11-12) (CAS RN: 187523-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H66O8/c1-3-4-13-18-29(38)30(39)20-16-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)19-15-12-10-8-6-5-7-9-11-14-17-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30-,31+,32-,33+,34+,35+,36+/m0/s1

InChIKey

InChIKey=SWLPIUHJTSWWOJ-AVDGUSTMSA-N

SMILES

[C@@H](CCC[C@@H]([C@@H](CCCCC)O)O)(O)[C@@]1(O[C@](CC1)([C@@]2(O[C@@]([C@@H](CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O)(CC2)[H])[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(13R)-13-hydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S,5S,6R)-1,5,6-trihydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-, (5S)-
  • 2(5H)-Furanone, 3-[13-hydroxy-13-[octahydro-5′-(1,5,6-trihydroxyundecyl)[2,2′-bifuran]-5-yl]tridecyl]-5-methyl-, [2R-[2α[2′R*,5′R*(1S*,5S*,6R*)],5β[R*(S*)]]]-
  • (5S)-3-[(13R)-13-Hydroxy-13-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S,5S,6R)-1,5,6-trihydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
  • Rollitacin

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