(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone

CAS Registry Number®

172488-91-4

CAS Name

(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone

Molecular Formula

C35H62O7

Molecular Mass

594.86

Cite this Page

(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]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=172488-91-4 (retrieved 2024-11-26) (CAS RN: 172488-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    70 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31-,32+,33-,34+/m0/s1

InChIKey

InChIKey=WVAPCAKZINGVII-WOHTVGPXSA-N

SMILES

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

Canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC(=O)CCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 3-[(2R,13R)-2,13-dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-, (5S)-
  • 2(5H)-Furanone, 3-[2,13-dihydroxy-8-oxo-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-5-methyl-, [2R-[2α[1(S*),2R*,13R*],5α(S*)]]-
  • (5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
  • cis-Annonacin-10-one

CAS INSIGHTSTM
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