Cas no 85269-24-5 ((2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone)

(2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone structure
85269-24-5 structure
Product Name:(2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone
CAS No:85269-24-5
MF:C23H38O6
MW:410.544228076935
CID:1835792
PubChem ID:102093874
Update Time:2024-03-01

(2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone Chemical and Physical Properties

Names and Identifiers

    • (2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone
    • (2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-
    • 85269-24-5
    • 1(2H)-NAPHTHALENONE, 4-(3-(ACETYLOXY)-1-OXOPROPYL)OCTAHYDRO-2,7-DIHYDROXY-2,4,5,7-TETRAMETHYL-3-(1-METHYLPROPYL)-, (2S-(2.ALPHA.,3.BETA.(S*),4.BETA.,4A.BETA.,5.BETA.,7.ALPHA.,8A.ALPHA.))-
    • 3PA5373MPV
    • 1(2H)-Naphthalenone, 4-(3-(acetyloxy)-1-oxopropyl)octahydro-2,7-dihydroxy-2,4,5,7-tetramethyl-3-(1-methylpropyl)-, (2S-(2alpha,3beta(S*),4beta,4abeta,5beta,7alpha,8aalpha))-
    • Betaenone F
    • 1(2H)-Naphthalenone, 4-(3-(acetyloxy)-1-oxopropyl)octahydro-2,7-dihydroxy-2,4,5,7-tetramethyl-3-((1R)-1-methylpropyl)-, (2S,3R,4R,4aS,5R,7R,8aS)-
    • UNII-3PA5373MPV
    • Inchi： 1S/C23H38O6/c1-8-13(2)19-22(6,17(25)9-10-29-15(4)24)18-14(3)11-21(5,27)12-16(18)20(26)23(19,7)28/h13-14,16,18-19,27-28H,8-12H2,1-7H3/t13-,14-,16+,18+,19-,21-,22-,23+/m1/s1
    • InChI Key： FLFBDTRJVACJLZ-JPNFTQASSA-N
    • SMILES： O[C@]1(C)C([C@H]2C[C@@](C)(C[C@@H](C)[C@@H]2[C@](C(CCOC(C)=O)=O)(C)[C@H]1[C@H](C)CC)O)=O

Computed Properties

  • Exact Mass: 410.267
  • Monoisotopic Mass: 410.267
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 7
  • Complexity: 674
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101A^2
  • XLogP3: 2.5

(2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone Related Literature

Related Categories

85269-24-5 ((2S,3R,4R,4aα,8aβ)-4-[3-(Acetyloxy)-1-oxopropyl]-3,4,4a,5,6,7,8,8a-octahydro-2β,7β-dihydroxy-2α,4,5α,7α-tetramethyl-3-[(R)-1-methylpropyl]-1(2H)-naphthalenone) Related Products

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