(5S)-5-Methyl-3-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxypentadecyl]-2-furanyl]undecyl]-2(5H)-furanone

CAS Registry Number®

172586-14-0

CAS Name

(5S)-5-Methyl-3-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxypentadecyl]-2-furanyl]undecyl]-2(5H)-furanone

Molecular Formula

C35H64O7

Molecular Mass

596.88

Cite this Page

(5S)-5-Methyl-3-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxypentadecyl]-2-furanyl]undecyl]-2(5H)-furanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=172586-14-0 (retrieved 2024-12-23) (CAS RN: 172586-14-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-14-16-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32+,33-,34+/m0/s1

InChIKey

InChIKey=NBVJDUCRUAUMAA-SWXNGZDQSA-N

SMILES

[C@H](CC[C@@H](CCCCC[C@H](CC1=C[C@H](C)OC1=O)O)O)(O)[C@@]2(O[C@]([C@H](CCCCCCCCCCCCCC)O)(CC2)[H])[H]

Canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC(O)CCC(O)C2OC(CC2)C(O)CCCCCCCCCCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 5-methyl-3-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxypentadecyl]-2-furanyl]undecyl]-, (5S)-
  • 2(5H)-Furanone, 5-methyl-3-[2,8,11-trihydroxy-11-[tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl]undecyl]-, [2R-[2α[1(S*),2R*,8R*,11R*],5α(S*)]]-
  • (5S)-5-Methyl-3-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxypentadecyl]-2-furanyl]undecyl]-2(5H)-furanone
  • cis-Goniothalamicin

CAS INSIGHTSTM
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