Cas no 31947-66-7 ((2R,2aS,5aR,8′bS,12′aR,12bR,13′aS,13′bS,13′cS,14′aR,14′bR,15aR)-13′b-Ethyl-4,5,6,8,9′,10′,12′a,13,13′a,13′b,13′c,14,14′a,14′b-tetradecahydrospiro[1H-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),2′(3′H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid methyl ester)

(2R,2aS,5aR,8′bS,12′aR,12bR,13′aS,13′bS,13′cS,14′aR,14′bR,15aR)-13′b-Ethyl-4,5,6,8,9′,10′,12′a,13,13′a,13′b,13′c,14,14′a,14′b-tetradecahydrospiro[1H-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),2′(3′H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid methyl ester structure
31947-66-7 structure
Product Name:(2R,2aS,5aR,8′bS,12′aR,12bR,13′aS,13′bS,13′cS,14′aR,14′bR,15aR)-13′b-Ethyl-4,5,6,8,9′,10′,12′a,13,13′a,13′b,13′c,14,14′a,14′b-tetradecahydrospiro[1H-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),2′(3′H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid methyl ester
CAS No:31947-66-7
MF:C42H48N4O4
MW:672.854930877686
CID:305621
Update Time:2024-03-01

(2R,2aS,5aR,8′bS,12′aR,12bR,13′aS,13′bS,13′cS,14′aR,14′bR,15aR)-13′b-Ethyl-4,5,6,8,9′,10′,12′a,13,13′a,13′b,13′c,14,14′a,14′b-tetradecahydrospiro[1H-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),2′(3′H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • Spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),2'(3'H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylicacid, 13'b-ethyl-4,5,6,8,9',10',12'a,13,13'a,13'b,13'c,14,14'a,14'b-tetradecahydro-,methyl ester, (2R,2aS,5aR,8'bS,12'aR,12bR,13'aS,13'bS,13'cS,14'aR,14'bS,15aR)-(9CI)
    • Voafoline,(14b)- (8CI); 14-Isovoafoline; Isovoafoline; Spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),2'(3'H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylicacid,13'b-ethyl-4,5,6,8,9',10',12'a,13,13'a,13'b,13'c,14,14'a,14'b-tetradecahydro-,methyl ester, [2'R-[2'a(2aR*,5aR*,12bR*,15aR*),8'bS*,12'aa,13'aa,13'ba,13'ca,14'aa,14'bb]]-
    • Isovoafoline
    • CID 102275007
    • (2R,2aS,5aR,8′bS,12′aR,12bR,13′aS,13′bS,13′cS,14′aR,14′bR,15aR)-13′b-Ethyl-4,5,6,8,9′,10′,12′a,13,13′a,13′b,13′c,14,14′a,14′b-tetradecahydrospiro[1H-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),2′(3′H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid methyl ester
    • methyl (1S,1'R,10R,12R,12'R,14S,15S,16'S,17R,22R,22'R,23S)-14-ethyl-15',16-dioxa-8,8',19,19'-tetraazaspiro[heptacyclo[10.9.1.11,14.02,7.08,22.015,17.019,23]tricosane-10,17'-hexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosane]-2,2',4,4',6,6',9'-heptaene-10'-carboxylate
    • Inchi： 1S/C42H48N4O4/c1-3-39-19-24-18-38(23-46-29-11-7-5-9-27(29)42(32(24)46)13-15-44(35(39)42)21-30-33(39)50-30)22-45-16-12-41-26-8-4-6-10-28(26)43-31(41)25(34(47)48-2)20-40(36(41)45)14-17-49-37(38)40/h4-11,24,30,32-33,35-37,43H,3,12-23H2,1-2H3/t24-,30-,32-,33-,35-,36+,37+,38-,39-,40+,41+,42+/m1/s1
    • InChI Key： BCFNGCHELGNCOO-WAZJVAJGSA-N
    • SMILES： O1[C@@H]2CN3CC[C@@]45C6C=CC=CC=6N6C[C@]7(CN8CC[C@]9%10C%11C=CC=CC=%11NC9=C(C(=O)OC)C[C@@]9(CCO[C@@H]79)[C@H]8%10)C[C@H](C[C@](CC)([C@H]12)[C@@H]34)[C@@H]65

Computed Properties

  • Exact Mass: 672.368
  • Monoisotopic Mass: 672.368
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 3
  • Complexity: 1590
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 69.8

(2R,2aS,5aR,8′bS,12′aR,12bR,13′aS,13′bS,13′cS,14′aR,14′bR,15aR)-13′b-Ethyl-4,5,6,8,9′,10′,12′a,13,13′a,13′b,13′c,14,14′a,14′b-tetradecahydrospiro[1H-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),2′(3′H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid methyl ester Related Literature

Related Categories

31947-66-7 ((2R,2aS,5aR,8′bS,12′aR,12bR,13′aS,13′bS,13′cS,14′aR,14′bR,15aR)-13′b-Ethyl-4,5,6,8,9′,10′,12′a,13,13′a,13′b,13′c,14,14′a,14′b-tetradecahydrospiro[1H-furo[2′,3′:7,8]indolizino[8,1-cd]carbazole-2(2aH),2′(3′H)-[1H,12H,14H]oxireno[6,7]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid methyl ester) Related Products

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