(5S)-5-Methyl-3-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]pentadecyl]-2(5H)-furanone

CAS Registry Number®

177861-02-8

CAS Name

(5S)-5-Methyl-3-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]pentadecyl]-2(5H)-furanone

Molecular Formula

C37H68O7

Molecular Mass

624.93

Cite this Page

(5S)-5-Methyl-3-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]pentadecyl]-2(5H)-furanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=177861-02-8 (retrieved 2024-11-24) (CAS RN: 177861-02-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    61-62 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32+,33-,34+,35+,36+/m0/s1

InChIKey

InChIKey=XNZJLZFJXAKNCP-NDTIKHGFSA-N

SMILES

[C@H](CC[C@@H](CCCCCCCCC[C@H](CC=1C(=O)O[C@@H](C)C1)O)O)(O)[C@@]2(O[C@@]([C@H](CCCCCCCCCCCC)O)(CC2)[H])[H]

Canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCC(O)CCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

Other Names for this Substance

  • 2(5H)-Furanone, 5-methyl-3-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]pentadecyl]-, (5S)-
  • 2(5H)-Furanone, 5-methyl-3-[2,12,15-trihydroxy-15-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]pentadecyl]-, [2R-[2α[1(S*),2R*,12R*,15R*],5β(S*)]]-
  • (5S)-5-Methyl-3-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(2R,5R)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]pentadecyl]-2(5H)-furanone
  • Rollinecin A

CAS INSIGHTSTM
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