Cas no 33156-28-4 (Card-20(22)-enolide,14-hydroxy-3-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3b,5b)- (9CI))

Card-20(22)-enolide,14-hydroxy-3-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3b,5b)- (9CI) structure
33156-28-4 structure
Product Name:Card-20(22)-enolide,14-hydroxy-3-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3b,5b)- (9CI)
CAS No:33156-28-4
MF:C29H44O6
MW:488.656069755554
CID:311044
PubChem ID:20055386
Update Time:2025-04-19

Card-20(22)-enolide,14-hydroxy-3-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3b,5b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Card-20(22)-enolide,14-hydroxy-3-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3b,5b)- (9CI)
    • 3-[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-3-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    • Ramnodigin
    • Ramnodiginum
    • UNII-Z8SRY7BR30
    • Ramnodigin [INN]
    • DTXSID301043347
    • 14-Hydroxy-3beta-((2,3,6-trihydroxy-alpha-L-erythro-hexopyranosyl)oxy)-5beta-card-20(22)-enolide
    • 33156-28-4
    • CHEMBL1651649
    • Q27295149
    • SCHEMBL1812161
    • 14-Hydroxy-3beta-((2,3,6-trideoxy-alpha-L-erythro-hexopyranosyl)oxy)-5beta-Card-20(22)-enolide
    • Z8SRY7BR30
    • 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    • Inchi： 1S/C29H44O6/c1-17-24(30)6-7-26(34-17)35-20-8-11-27(2)19(15-20)4-5-23-22(27)9-12-28(3)21(10-13-29(23,28)32)18-14-25(31)33-16-18/h14,17,19-24,26,30,32H,4-13,15-16H2,1-3H3/t17-,19+,20-,21+,22-,23+,24+,26-,27-,28+,29-/m0/s1
    • InChI Key： LDZRENBZALBYIS-XZUAUHNRSA-N
    • SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1CC[C@H]([C@H](C)O1)O

Computed Properties

  • Exact Mass: 488.31400
  • Monoisotopic Mass: 488.31378912g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 3
  • Complexity: 886
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 85.2?2

Experimental Properties

  • PSA: 85.22000
  • LogP: 4.51450

Card-20(22)-enolide,14-hydroxy-3-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3b,5b)- (9CI) Related Literature

Related Categories

33156-28-4 (Card-20(22)-enolide,14-hydroxy-3-[[(2R,5R,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3b,5b)- (9CI)) Related Products

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