Cas no 3520-11-4 (19-Norlanosta-5,23-diene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (2b,9b,10a,16b,23E)- (9CI))

19-Norlanosta-5,23-diene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (2b,9b,10a,16b,23E)- (9CI) structure
3520-11-4 structure
Product Name:19-Norlanosta-5,23-diene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (2b,9b,10a,16b,23E)- (9CI)
CAS No:3520-11-4
MF:C34H48O9
MW:600.739531517029
CID:308315
PubChem ID:198924
Update Time:2025-04-19

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

Names and Identifiers

    • 19-Norlanosta-5,23-diene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (2b,9b,10a,16b,23E)- (9CI)
    • 2,16-Di-O-acetylcucurbitacin D
    • 2,16-Di-O-acetylcucurbitacin R
    • AC1O60TJ
    • BRN 3190816
    • Diacetyl-2,16 cucurbitacine (D)
    • LS-97297
    • 3520-11-4
    • DTXSID20956651
    • 20,25-Dihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-diene-2,16-diyl diacetate
    • Inchi： 1S/C34H48O9/c1-18(35)42-22-15-21-20(30(5,6)28(22)39)11-12-24-31(7)16-23(43-19(2)36)27(32(31,8)17-26(38)33(21,24)9)34(10,41)25(37)13-14-29(3,4)40/h11,13-14,21-24,27,40-41H,12,15-17H2,1-10H3/t21-,22+,23+,24+,27+,31+,32-,33+,34+/m1/s1
    • InChI Key： LBTYUHBOOBONKC-NBIXRKAHSA-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=CC(C)(C)O)=O)(C)O)=O)OC(C)=O)=O

Computed Properties

  • Exact Mass: 600.329833
  • Monoisotopic Mass: 600.329833
  • 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: 144
  • XLogP3: 2.7

Experimental Properties

  • PSA: 144.27000
  • LogP: 4.07010

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

3520-11-4 (19-Norlanosta-5,23-diene-3,11,22-trione,2,16-bis(acetyloxy)-20,25-dihydroxy-9-methyl-, (2b,9b,10a,16b,23E)- (9CI)) Related Products

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