Cas no 19898-96-5 (2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one)

2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one structure
19898-96-5 structure
Product Name:2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
CAS No:19898-96-5
MF:C28H39ClO5
MW:491.05926823616
CID:2660136
PubChem ID:23266164
Update Time:2024-02-29

2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-6β,22,27-trihydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone
    • Jaborosalactone E
    • 2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15
    • 2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
    • 19898-96-5
    • 2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
    • Inchi： 1S/C28H39ClO5/c1-15-12-22(34-25(33)18(15)14-30)16(2)19-7-8-20-17-13-24(32)28(29)10-5-6-23(31)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,30,32H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22?,24+,26+,27-,28-/m0/s1
    • InChI Key： CEUVHLKCEJLVTP-SMNCXKCUSA-N
    • SMILES： Cl[C@]12CC=CC([C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)C4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O)=O

Computed Properties

  • Exact Mass: 490.2486020g/mol
  • Monoisotopic Mass: 490.2486020g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 3
  • Complexity: 956
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 83.8
  • XLogP3: 5.2

2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one Related Literature

Related Categories

19898-96-5 (2-[(1S)-1-[(5R,6R,8S,9S,10S,13S,14S,17R)-5-Chloro-6-hydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one) Related Products

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