Cas no 37710-13-7 (19-Norlanosta-5,23-diene-3,11,22-trione,16,25-bis(acetyloxy)-2,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)- (9CI))

19-Norlanosta-5,23-diene-3,11,22-trione,16,25-bis(acetyloxy)-2,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)- (9CI) structure
37710-13-7 structure
Product Name:19-Norlanosta-5,23-diene-3,11,22-trione,16,25-bis(acetyloxy)-2,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)- (9CI)
CAS No:37710-13-7
MF:C34H48O9
MW:600.739531517029
CID:305354
PubChem ID:5356030
Update Time:2025-04-19

19-Norlanosta-5,23-diene-3,11,22-trione,16,25-bis(acetyloxy)-2,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 19-Norlanosta-5,23-diene-3,11,22-trione,16,25-bis(acetyloxy)-2,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)- (9CI)
    • [(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-1
    • AC1NS8IA
    • FABACEIN
    • NSC49452
    • [(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
    • DTXSID30418058
    • 37710-13-7
    • CHEMBL2005440
    • NSC-49452
    • Inchi： 1S/C34H48O9/c1-18(35)42-23-16-31(7)24-12-11-20-21(15-22(37)28(40)30(20,5)6)33(24,9)26(39)17-32(31,8)27(23)34(10,41)25(38)13-14-29(3,4)43-19(2)36/h11,13-14,21-24,27,37,41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23-,24+,27+,31+,32-,33+,34+/m1/s1
    • InChI Key： VDSNEQABQQKTRF-ZHECFNFVSA-N
    • SMILES： O(C(C)=O)[C@@H]1C[C@@]2(C)[C@@H]3CC=C4C(C)(C)C([C@H](C[C@H]4[C@]3(C)C(C[C@]2(C)[C@H]1[C@@](C(/C=C/C(C)(C)OC(C)=O)=O)(C)O)=O)O)=O

Computed Properties

  • Exact Mass: 600.32994
  • Monoisotopic Mass: 600.33
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 8
  • Complexity: 1320
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 144A^2
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.22
  • Boiling Point: 703.6°Cat760mmHg
  • Flash Point: 215.2°C
  • Refractive Index: 1.556
  • PSA: 144.27
  • LogP: 4.07010

19-Norlanosta-5,23-diene-3,11,22-trione,16,25-bis(acetyloxy)-2,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)- (9CI) Related Literature

37710-13-7 (19-Norlanosta-5,23-diene-3,11,22-trione,16,25-bis(acetyloxy)-2,20-dihydroxy-9-methyl-, (2b,9b,10a,16a,23E)- (9CI)) Related Products

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