Cas no 24916-52-7 (Spiramycin III (contains up to 13% Spiramycin I))

Spiramycin III (contains up to 13% Spiramycin I) structure
24916-52-7 structure
Product Name:Spiramycin III (contains up to 13% Spiramycin I)
CAS No:24916-52-7
MF:C46H78N2O15
MW:899.11593580246
CID:269089
PubChem ID:53297409
Update Time:2025-04-19

Spiramycin III (contains up to 13% Spiramycin I) Chemical and Physical Properties

Names and Identifiers

    • Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3-propanoate
    • Spiramycin III
    • Foromacidin C
    • Foromacidine C
    • spiramycin C
    • Spiramycin iii,foromacidin C,foromacidine C,spiramycin 3
    • Spiramycin-III
    • CHEBI:82005
    • [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
    • [(4R, 5S, 6S, 7R, 9R, 10R, 11E, 13E, 16R)-6-[(2S, 3R, 4R, 5S, 6R)-5-[(2S, 4R, 5S, 6S)-4, 5-dihydroxy-4, 6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R, 5S, 6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9, 16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11, 13-dien-4-yl] propanoate
    • SPIRAMYCIN III [MI]
    • Q27155685
    • 24916-52-7
    • Spiramycin III (contains up to 13% Spiramycin I)
    • 0NHE9TRJ93
    • C18844
    • Inchi: 1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1
    • InChI Key: HSZLKTCKAYXVBX-LYIMTGTFSA-N
    • SMILES: O1[C@H](C)[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1[C@H]([C@@H](CC(=O)O[C@H](C)CC=CC=C[C@@H]([C@H](C)C[C@@H]1CC=O)O[C@H]1CC[C@@H]([C@@H](C)O1)N(C)C)OC(CC)=O)OC)O)N(C)C)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)O |t:19,21|

Computed Properties

  • Exact Mass: 898.54000
  • Monoisotopic Mass: 898.54021979g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 63
  • Rotatable Bond Count: 14
  • Complexity: 1500
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 19
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 201?2

Experimental Properties

  • Melting Point: 128-131°
  • PSA: 201.45000
  • LogP: 3.28600
  • Specific Rotation: D20 -83°

Spiramycin III (contains up to 13% Spiramycin I) Customs Data

  • HS CODE:2941907000
  • Customs Data:

    China Customs Code:

    2941907000

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