Cas no 139742-29-3 (5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-,(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-)

5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-,(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)- structure
139742-29-3 structure
Product Name:5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-,(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-
CAS No:139742-29-3
MF:C34H57NO7
MW:591.81889128685
CID:185504
PubChem ID:197417
Update Time:2025-04-19

5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-,(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)- Chemical and Physical Properties

Names and Identifiers

    • 5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-,(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-
    • (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a
    • 5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyra...
    • 5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-d
    • (3beta,5alpha,12alpha,13beta)-28-methyl-6-oxo-5,6,12,13-tetrahydroveratraman-3-yl alpha-D-glucopyranoside
    • Ningpeisinoside
    • Veratraman-6(5H)-one, 3-(beta-D-glucopyranosyloxy)-12,13-dihydro-28-methyl-, (3beta,5alpha,12alpha,13beta)-
    • 139742-29-3
    • 28-Methyl-6-oxo-5,6,12,13-tetrahydroveratraman-3-yl hexopyranoside
    • DTXSID00930575
    • (3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-9-[1-[(2R,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1H-benzo[a]fluoren-5-one
    • Inchi： 1S/C34H57NO7/c1-17-6-9-27(35(5)15-17)19(3)21-7-8-22-23(18(21)2)13-25-24(22)14-28(37)26-12-20(10-11-34(25,26)4)41-33-32(40)31(39)30(38)29(16-36)42-33/h17-27,29-33,36,38-40H,6-16H2,1-5H3/t17-,18-,19?,20-,21+,22+,23-,24-,25-,26+,27+,29+,30+,31-,32+,33-,34+/m0/s1
    • InChI Key： OAWUSFAEJKJJFY-DYIYZHNTSA-N
    • SMILES： O=C1C[C@H]2[C@@H]3CC[C@@H](C(C)[C@H]4CC[C@H](C)CN4C)[C@H](C)[C@@H]3C[C@@H]2[C@@]2(C)CC[C@@H](C[C@@H]21)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 591.41350316g/mol
  • Monoisotopic Mass: 591.41350316g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 5
  • Complexity: 980
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 16
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 4.4
  • Topological Polar Surface Area: 120?2

5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-,(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)- Related Literature

Related Categories

139742-29-3 (5H-Benzo[a]fluoren-5-one,9-[(1S)-1-[(2R,5S)-1,5-dimethyl-2-piperidinyl]ethyl]-3-(b-D-glucopyranosyloxy)hexadecahydro-10,11b-dimethyl-,(3S,4aS,6aS,6bR,9R,10R,10aS,11aS,11bR)-) Related Products

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