Cas no 37717-06-9 ([(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate)

[(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate structure
37717-06-9 structure
Product Name:[(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS No:37717-06-9
MF:C31H46O5
MW:498.693950176239
CID:297055
Update Time:2023-08-02

[(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Chemical and Physical Properties

Names and Identifiers

    • Cholesta-9(11),20(22)-dien-23-one,3,6-bis(acetyloxy)-, (3b,5a,6a)- (9CI)
    • 3b,6a-Diacetoxy-5a-cholesta-9(11),20(22)-dien-23-one
    • 3b,6a-Dihydroxy-5a-cholesta-9(11),20(22)-dien-23-one diacetate
    • [(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,
    • [(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    • Inchi： 1S/C31H46O5/c1-18(2)14-22(34)15-19(3)25-8-9-26-24-17-29(36-21(5)33)28-16-23(35-20(4)32)10-12-31(28,7)27(24)11-13-30(25,26)6/h11,15,18,23-26,28-29H,8-10,12-14,16-17H2,1-7H3/b19-15-/t23-,24-,25+,26-,28+,29-,30+,31+/m0/s1
    • InChI Key： CFJNUDQPQZQJNE-GRTAVOGWSA-N
    • SMILES： O(C(C)=O)[C@H]1C[C@@H]2C(=CC[C@]3(C)[C@@H](/C(=C\C(CC(C)C)=O)/C)CC[C@H]32)[C@@]2(C)CC[C@@H](C[C@@H]21)OC(C)=O

Computed Properties

  • Exact Mass: 498.335
  • Monoisotopic Mass: 498.335
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 8
  • Complexity: 960
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 69.7

[(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Related Literature

Related Categories

37717-06-9 ([(3S,5S,6S,8S,10S,13S,14S,17R)-6-Acetyloxy-10,13-dimethyl-17-[(Z)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate) Related Products

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