Cas no 195883-06-8 (Omtriptolide)

Omtriptolide structure
Omtriptolide structure
Product Name:Omtriptolide
CAS No:195883-06-8
MF:C24H28O9
MW:460.473728179932
CID:66490
PubChem ID:6918522
Update Time:2025-04-18

Omtriptolide Chemical and Physical Properties

Names and Identifiers

    • Omtriptolide
    • triptolide 14-succinate
    • triptolide succinate
    • UNII-D36ELM729P
    • YM 262
    • Butanedioicacid,mono[(3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydro-8b-methyl-6a-(1-methylethyl)-1-oxotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl]ester (9CI)
    • Butanedioic acid,mono[1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydro-8b-methyl-6a-(1-methylethyl)-1-oxotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl]ester, [3bS-(3ba,4aa,5aS*,6b,6ab,7ab,7ba,8aR*,8bb)]-
    • PG-490-88
    • OMTRIPTOLIDE [WHO-DD]
    • CS-6982
    • CHEMBL2110669
    • SCHEMBL16312527
    • Omtriptolide [INN]
    • HY-16363
    • 4-[[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl]oxy]-4-oxobutanoic acid
    • D36ELM729P
    • VHA88306
    • PG490-88
    • MS-28442
    • 4-(((3BS,4AS,5AR,6R,6AS,7AS,7BS,8AS,8BS)-6A-ISOPROPYL-8B-METHYL-1-OXO-1,3,3B,4,4A,6,6A,7A,7B,8B,9,10-DODECAHYDROTRISOXIRENO(6,7:8A,9:4B,5)PHENANTHRO(1,2-C)FURAN-6-YL)OXY)-4-OXOBUTANOIC ACID
    • Q27276034
    • 195883-06-8
    • BUTANEDIOIC ACID, MONO((3BS,4AS,5AR,6R,6AS,7AS,7BS,8AS,8BS)-1,3,3B,4,4A,6,6A,7A,7B,8B,9,10-DODECAHYDRO-8B-METHYL-6A-(1-METHYLETHYL)-1-OXOTRISOXIRENO(6,7:8A,9:4B,5)PHENANTHRO(1,2-C)FURAN-6-YL) ESTER
    • AKOS040742336
    • omtriptolida
    • omtriptolidum
    • G13660
    • Inchi: 1S/C24H28O9/c1-10(2)22-17(32-22)18-24(33-18)21(3)7-6-11-12(9-29-19(11)28)13(21)8-14-23(24,31-14)20(22)30-16(27)5-4-15(25)26/h10,13-14,17-18,20H,4-9H2,1-3H3,(H,25,26)/t13-,14-,17-,18-,20+,21-,22-,23+,24+/m0/s1
    • InChI Key: HROMYAWHLUOUPY-AHCCQAQQSA-N
    • SMILES: O1[C@H]2[C@H]3[C@@](C(C)C)([C@H]([C@]45[C@H](C[C@H]6C7COC(C=7CC[C@]6(C)[C@@]142)=O)O5)OC(CCC(=O)O)=O)O3

Computed Properties

  • Exact Mass: 460.17300
  • Monoisotopic Mass: 460.17333247g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 6
  • Complexity: 1050
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 128?2

Experimental Properties

  • Density: 1.49
  • Melting Point: 109-111 oC
  • PSA: 127.49000
  • LogP: 1.51880

Omtriptolide Security Information

  • Storage Condition:4°C, stored under nitrogen

Omtriptolide Pricemore >>

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