Cas no 11078-21-0 (Filipin complex)

Filipin complex structure
Filipin complex structure
Product Name:Filipin complex
CAS No:11078-21-0
MF:C35H58O11
MW:654.828432559967
CID:177793
PubChem ID:6433194
Update Time:2025-04-19

Filipin complex Chemical and Physical Properties

Names and Identifiers

    • Filipin
    • FILIPIN (FROM STREPTOMYCES FILIPINENSIS)
    • Filimirasin
    • Filipin complex
    • Filmirisin
    • 14-deoxylagosin
    • FILIPIN COMPLEX FROM STREPTOMYCES &
    • filipin complex from streptomyces filipinensis
    • 15-Deoxylagosin
    • NSC-38092
    • BRD-K91940914-001-01-5
    • Filipina
    • Oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-, (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-
    • Filimarisin
    • CHEBI:83267
    • BF162726
    • 11078-21-0
    • Oxacyclooctacosane, filipin III deriv.
    • HY-N6718
    • NS00122263
    • TK-336
    • Filipinum
    • Filipine
    • NSC-3364
    • MFCD30742956
    • F82421
    • (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
    • FILIPIN III
    • CHEMBL252059
    • 1'-epi-filipin iv
    • FILIPIN DERIVATIVE
    • 480-49-9
    • (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one
    • NSC3364
    • 4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
    • AKOS032947194
    • Filipin (USAN)
    • CS-0099763
    • Q2073868
    • U-5956
    • SCHEMBL17210465
    • HMS3649M19
    • 1',26-dihydroxyfilipin
    • D04186
    • IMQSIXYSKPIGPD-YQRUMEKGSA-N
    • Inchi: 1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1
    • InChI Key: IMQSIXYSKPIGPD-YQRUMEKGSA-N
    • SMILES: O[C@H]1C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](C(=CC=CC=CC=CC=C[C@@H]([C@@H](C)OC([C@@H]1[C@@H](CCCCC)O)=O)O)C)O)O)O)O)O)O |t:14,16,18,20,22|

Computed Properties

  • Exact Mass: 654.39804
  • Monoisotopic Mass: 654.39791266g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 5
  • Complexity: 991
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 5
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 208?2

Experimental Properties

  • Color/Form: Yellowish to yellowish brown powder
  • Density: 1.161
  • Melting Point: 195-205°
  • Boiling Point: 913.9 °C at 760 mmHg
  • Flash Point: 279.3 °C
  • Solubility: methanol: 10?mg/mL, clear, very dark yellow
  • PSA: 208.37
  • LogP: 1.88800
  • Merck: 13,4111
  • Specific Rotation: D22 -148.3° (c = 0.89 in methanol)

Filipin complex Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • FLUKA BRAND F CODES:10
  • RTECS:LK4400000
  • Hazardous Material Identification: Xn Xi
  • Storage Condition:?20°C
  • Risk Phrases:R36/37/38

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