Cas no 5979-41-9 ((8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione)

(8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione structure
5979-41-9 structure
Product Name:(8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
CAS No:5979-41-9
MF:C60H88O16
MW:1065.33114051819
CID:950687
PubChem ID:441819
Update Time:2025-04-19

(8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione Chemical and Physical Properties

Names and Identifiers

    • 2-[(4-methylsulfonylphenoxy)methyl]oxirane
    • ((p-(Methylsulphonyl)phenoxy)methyl)oxirane
    • AC1L3R7N
    • AC1Q6UY2
    • AR-1A0036
    • CTK8E0049
    • Cucurbitacin J
    • Cucurbitacin K
    • EINECS 261-112-5
    • KST-1A6375
    • NSC112165
    • (8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-
    • LMST01010111
    • 5979-41-9
    • SCHEMBL10307356
    • C08801
    • (8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
    • NSC-112165
    • Inchi： 1S/2C30H44O8/c2*1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16,18-20,23,32-33,37-38H,10-14H2,1-8H3;9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3
    • InChI Key： SGJHURBAWYYGJW-UHFFFAOYSA-N
    • SMILES： CC(C(CC(C(C1C2(C(C3C(C(C2)=O)(C)C2CC(C(C(C2=CC3)(C)C)=O)=O)(C)CC1O)C)(O)C)=O)O)(O)C.CC(C(CC(C(C1C2(C(C3C(C(C2)=O)(C)C2C=C(C(C(C2=CC3)(C)C)=O)O)(C)CC1O)C)(O)C)=O)O)(O)C

Computed Properties

  • Exact Mass: 228.04566
  • Monoisotopic Mass: 532.30361836g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 5
  • Complexity: 1150
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 152

Experimental Properties

  • PSA: 55.9
  • LogP: 2.81420

(8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione Related Literature

Related Categories

5979-41-9 ((8S,9S,10S,13R,14S,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione) Related Products

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