(5S)-3-[(2R,11R)-2,11-Dihydroxy-11-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxytridecyl][2,2′-bifuran]-5-yl]undecyl]-5-methyl-2(5H)-furanone

CAS Registry Number®

174158-66-8
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CAS Name

(5S)-3-[(2R,11R)-2,11-Dihydroxy-11-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxytridecyl][2,2′-bifuran]-5-yl]undecyl]-5-methyl-2(5H)-furanone

Molecular Formula

C37H66O7

Molecular Mass

622.92

Cite this Page

(5S)-3-[(2R,11R)-2,11-Dihydroxy-11-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxytridecyl][2,2′-bifuran]-5-yl]undecyl]-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=174158-66-8 (retrieved 2024-09-19) (CAS RN: 174158-66-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(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=GXZZLWVQYXFTJE-LUVUIASKSA-N

SMILES

[C@H](CCCCCCCC[C@H](CC1=C[C@H](C)OC1=O)O)(O)[C@@]2(O[C@](CC2)([C@@]3(O[C@@]([C@H](CCCCCCCCCCCC)O)(CC3)[H])[H])[H])[H]

Canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(2R,11R)-2,11-dihydroxy-11-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxytridecyl][2,2′-bifuran]-5-yl]undecyl]-5-methyl-, (5S)-
  • 2(5H)-Furanone, 3-[2,11-dihydroxy-11-[octahydro-5′-(1-hydroxytridecyl)[2,2′-bifuran]-5-yl]undecyl]-5-methyl-, [2R-[2α[2′R*,5′R*(S*)],5β[1(S*),2R*,11R*]]]-
  • (5S)-3-[(2R,11R)-2,11-Dihydroxy-11-[(2R,2′R,5R,5′R)-octahydro-5′-[(1S)-1-hydroxytridecyl][2,2′-bifuran]-5-yl]undecyl]-5-methyl-2(5H)-furanone
  • Squamotacin
  • (+)-Squamotacin