Cas no 80394-65-6 (2-Hydroxy-4-[7-hydroxy-2-[5-[5-[5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylpentanoic acid)

2-Hydroxy-4-[7-hydroxy-2-[5-[5-[5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylpentanoic acid structure
80394-65-6 structure
Product Name:2-Hydroxy-4-[7-hydroxy-2-[5-[5-[5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylpentanoic acid
CAS No:80394-65-6
MF:C45H70O15
MW:851.028316020966
CID:871790
PubChem ID:5257185
Update Time:2025-04-19

2-Hydroxy-4-[7-hydroxy-2-[5-[5-[5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylpentanoic acid Chemical and Physical Properties

Names and Identifiers

    • cationomycin
    • 80394-65-6
    • Monensin, 21,25-deepoxy-16-deethyl-25-de(hydroxymethyl)-3-O-demethyl-21,24-epoxy-25-ethyl-2-hydroxy-3-O-(2-hydroxy-4-methoxy-6-methylbenzoyl)-15-methoxy-16-methyl-, (15S,24S,25R)-
    • BRN6263205
    • LS-52659
    • LS52659
    • 2-hydroxy-4-[7-hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,3,8-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylbutanoic acid
    • GTPL11002
    • BRN 6263205
    • BRN-6263205
    • 2-Hydroxy-4-[7-hydroxy-2-[5-[5-[5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylpentanoic acid
    • Inchi： 1S/C45H70O15/c1-13-31(48)42(8)20-24(4)35(58-42)30-17-23(3)37(55-30)44(10)33(54-12)19-32(57-44)41(7)14-15-45(60-41)21-29(47)25(5)36(59-45)26(6)38(43(9,52)40(50)51)56-39(49)34-22(2)16-27(53-11)18-28(34)46/h16,18,23-26,29-33,35-38,46-48,52H,13-15,17,19-21H2,1-12H3,(H,50,51)
    • InChI Key： TZXAYLJEVNVSIA-UHFFFAOYSA-N
    • SMILES： O1C(CC(C1(C)C1C(C)CC(C2C(C)CC(C)(C(CC)O)O2)O1)OC)C1(C)CCC2(CC(C(C)C(C(C)C(C(C(=O)O)(C)O)OC(C3C(=CC(=CC=3C)OC)O)=O)O2)O)O1

Computed Properties

  • Exact Mass: 850.47147152g/mol
  • Monoisotopic Mass: 850.47147152g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 14
  • Complexity: 1530
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 18
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 209?2

2-Hydroxy-4-[7-hydroxy-2-[5-[5-[5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylpentanoic acid Related Literature

Related Categories

80394-65-6 (2-Hydroxy-4-[7-hydroxy-2-[5-[5-[5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylpentanoic acid) Related Products

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