Cas no 57943-48-3 ((2S,7aR,8R,10R,11R,13S,13aS,13bR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol)

(2S,7aR,8R,10R,11R,13S,13aS,13bR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol structure
57943-48-3 structure
Product Name:(2S,7aR,8R,10R,11R,13S,13aS,13bR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol
CAS No:57943-48-3
MF:C30H48O5
MW:488.699130058289
CID:1607201
PubChem ID:6453550
Update Time:2025-04-21

(2S,7aR,8R,10R,11R,13S,13aS,13bR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol Chemical and Physical Properties

Names and Identifiers

    • (2S,7aR,8R,10R,11R,13S,13aS,13bR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol
    • 57943-48-3
    • 11-(2-Hydroxypropan-2-yl)-1,1,7a,8,13a-pentamethyloctadecahydro-5H-10,12a-epoxycyclopropa[1',8'a]naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol
    • DTXSID50973518
    • Inchi： 1S/C30H48O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-23,31-33H,8-15H2,1-7H3/t16?,17-,18?,19+,20+,21?,22-,23+,26-,27-,28?,29?,30?/m1/s1
    • InChI Key： CNBHUROFMYCHGI-BJLAKABESA-N
    • SMILES： O1[C@H]2[C@H](C(C)(C)O)OC31[C@H]([C@]1(C)[C@@](C)(C3C(C)C2)CCC23CC42CC[C@@H](C(C)(C)C4CC[C@H]31)O)O

Computed Properties

  • Exact Mass: 488.35034
  • Monoisotopic Mass: 488.35017463g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 1
  • Complexity: 962
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 79.2?2

Experimental Properties

  • PSA: 79.15

(2S,7aR,8R,10R,11R,13S,13aS,13bR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol Related Literature

Related Categories

57943-48-3 ((2S,7aR,8R,10R,11R,13S,13aS,13bR)-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]oxepine-2,13-diol) Related Products

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