Cas no 639-01-0 (Card-20(22)-enolide,16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-, (3b,5b,16b)- (9CI))

Card-20(22)-enolide,16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-, (3b,5b,16b)- (9CI) structure
639-01-0 structure
Product Name:Card-20(22)-enolide,16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-, (3b,5b,16b)- (9CI)
CAS No:639-01-0
MF:C32H48O10
MW:592.717531204224
CID:503229
PubChem ID:289842
Update Time:2025-04-19

Card-20(22)-enolide,16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-, (3b,5b,16b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Card-20(22)-enolide,16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-, (3b,5b,16b)- (9CI)
    • 16β-Acetoxy-3β-[(6-deoxy-3-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide
    • Acoschimperoside P
    • NSC152153
    • Stropeside, 7CI, 8CI)
    • NSC-707149
    • [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
    • 639-01-0
    • NSC-152153
    • NSC707149
    • Card-20(22)-enolide,(3.beta.,5.beta.,16.beta.)-
    • Inchi： 1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3/t16?,19-,20+,21+,22-,23+,25+,26?,27?,28?,29?,30+,31-,32+/m1/s1
    • InChI Key： UZQOZJNEDXAJEZ-WAIGGTDDSA-N
    • SMILES： O[C@]12C[C@@H]([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)OC1C(C(C(C(C)O1)O)OC)O)OC(C)=O

Computed Properties

  • Exact Mass: 592.32500
  • Monoisotopic Mass: 592.32474772g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 6
  • Complexity: 1110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 141?2

Experimental Properties

  • PSA: 140.98000
  • LogP: 2.65180

Card-20(22)-enolide,16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-, (3b,5b,16b)- (9CI) Related Literature

Related Categories

639-01-0 (Card-20(22)-enolide,16-(acetyloxy)-3-[(6-deoxy-3-O-methyl-a-L-mannopyranosyl)oxy]-14-hydroxy-, (3b,5b,16b)- (9CI)) Related Products

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