Cas no 1186496-68-3 (1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-)

1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]- structure
1186496-68-3 structure
Product Name:1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-
CAS No:1186496-68-3
MF:C30H47NO4
MW:485.698489427567
CID:837075
PubChem ID:75034218
Update Time:2024-11-03

1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-
    • (3β,7R,8α,13R)-23-[(1R,4R,5S)-1,4-Dimethyl-2,8-dioxabicyclo[3.2.1 ]oct-4-yl]-13-hydroxydaphnan-23-one
    • 11-Hydroxycodaphniphylline
    • 1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,...
    • 1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-h
    • 1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indo
    • (3Beta,7R,8Alpha,13R)-23-[(1R,4R,5S)-1,4-Dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-13-hydroxydaphnan-23-one
    • [ "" ]
    • 1-(1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl)-3-(8-hydroxy-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl)propan-1-one
    • 1186496-68-3
    • Inchi： 1S/C30H47NO4/c1-18(2)20-8-12-27(4)19-15-23(33)30-11-6-7-21(30)29(27,25(20)31(30)16-19)14-9-22(32)26(3)17-34-28(5)13-10-24(26)35-28/h18-21,23-25,33H,6-17H2,1-5H3/t19-,20-,21+,23-,24-,25+,26+,27+,28+,29+,30+/m1/s1
    • InChI Key： JENRSDUHJGGCGW-UZDIEEROSA-N
    • SMILES： O[C@H]1[C@@]23N4[C@@H]5[C@@]([C@@H]2CCC3)(CCC([C@]2([C@H]3CC[C@](C)(O3)OC2)C)=O)[C@@]([C@@H](C4)C1)(C)CC[C@@H]5C(C)C

Computed Properties

  • Exact Mass: 485.35100
  • Monoisotopic Mass: 485.35050898g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 5
  • Complexity: 937
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 11
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.614
  • Topological Polar Surface Area: 59?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 59.00000
  • LogP: 4.88150

1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]- Security Information

  • Storage Condition：Store at room temperature, 2-8 ℃ is better

1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]- Related Literature

Related Categories

1186496-68-3 (1-Propanone, 1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]oct-4-yl]-3-[(3aS,4S,4aS,5R,8S,8aR,8bS,10S,12R)-octahydro-12-hydroxy-8-methyl-5-(1-methylethyl)-4,8,3a-[1,2,4]butanetriylcyclopent[b]indol-8a(4aH)-yl]-) Related Products

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