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

CAS Registry Number®

140224-67-5

CAS Name

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

Molecular Formula

C37H66O7

Molecular Mass

622.92

Cite this Page

(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′S,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][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=140224-67-5 (retrieved 2024-12-22) (CAS RN: 140224-67-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31+,32+,33+,34+,35-,36+/m0/s1

InChIKey

InChIKey=MBABCNBNDNGODA-YVKOSWGISA-N

SMILES

[C@H](CCCCCCCCCC[C@H](CC=1C(=O)O[C@@H](C)C1)O)(O)[C@@]2(O[C@](CC2)([C@]3(O[C@@]([C@@H](CCCCCCCCCC)O)(CC3)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(2R,13R)-2,13-dihydroxy-13-[(2R,2′S,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-, (5S)-
  • 2(5H)-Furanone, 3-[2,13-dihydroxy-13-[octahydro-5′-(1-hydroxyundecyl)[2,2′-bifuran]-5-yl]tridecyl]-5-methyl-, [2R-[2α[2′S*,5′R*(R*)],5β[1(S*),2R*,13R*]]]-
  • (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-[(2R,2′S,5R,5′R)-octahydro-5′-[(1R)-1-hydroxyundecyl][2,2′-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
  • Trilobacin

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