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Home> Encyclopedia > Hot Product Listed C   > colchamin-d3
1217668-72-8 structure

colchamin-d3

Iupac Name:(7S)-1,2,3,10-tetramethoxy-7-(trideuteriomethylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
CAS No.:1217668-72-8
Molecular Weight:374.451
Molecular Formula:C21H25NO5 (isomer)
Names and Identifiers
Synonyms

(10s)-3,4,5,14-tetramethoxy-10-[((2)h?)methylamino]tricyclo[9.5.0.0(2),?]hexadeca-1(16),2,4,6,11,14-hexaen-13-one (7s)-6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-benzo[a]heptalen-9(5h)-one-d3 colcemid-d3 CTK8F9019 deacetylmethylcolchicine-d3 demecolcine-d3 n-desacetyl-n-methylcolchicine-d3 nsc 3096-d3 omain-d3 omaine-d3 reichstein's f-d3

Inchi
InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1/i1D3
InChkey
NNJPGOLRFBJNIW-VSLDJYOXSA-N
Canonical Smiles
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Properties
Melting Point
73-75°C
Computational chemical data
  • Molecular Weight:374.451g/mol
  • Molecular Formula:C21H25NO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:374.192
  • Monoisotopic Mass:374.192
  • Complexity:653
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:66A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:3
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAABggAAAABAAAAHgAQAAAADCzBmAYyBoLABACI AqBSAAKCCAAgIAAAiIBOiMgNJyKEsR6EMCIl0BUKqYeQ8P8OoAABCAAYQABAAAIQADCAAAAAAAAA AA==
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