Cas no 21851-05-8 ((1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol)

(1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol structure
21851-05-8 structure
Product Name:(1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol
CAS No:21851-05-8
MF:C27H45NO3
MW:431.651108503342
CID:288476
PubChem ID:16406745
Update Time:2024-03-01

(1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol Chemical and Physical Properties

Names and Identifiers

    • Cevane-3,6,14-triol, (3a,5a,6b,25a)- (9CI)
    • 5a,25bH-Cevane-3a,6b,14-triol (8CI)
    • Benzo[7,8]fluoreno[2,1-b]quinolizine, cevane-3,6,14-triol deriv.
    • Korseveriline
    • (1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,
    • AKOS032435575
    • DTXSID801346574
    • 21851-05-8
    • (1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol
    • Inchi： 1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m1/s1
    • InChI Key： NQGYOUYEGZOZBN-QAJIXOGVSA-N
    • SMILES： O[C@@]12CC[C@@H]3[C@@H](C)[C@@H]4CC[C@@H](C)CN4C[C@H]3[C@@H]1C[C@@H]1[C@@]3(C)CC[C@H](C[C@@H]3[C@@H](C[C@H]12)O)O

Computed Properties

  • Exact Mass: 431.33994430g/mol
  • Monoisotopic Mass: 431.33994430g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 0
  • Complexity: 715
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.9
  • XLogP3: 3.9

(1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol Related Literature

Related Categories

21851-05-8 ((1S,2R,6R,9S,10R,11S,14R,15R,17R,18S,20R,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol) Related Products

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