Cas no 25383-23-7 (19-Norlanosta-5,23-diene-11,22-dione,2,3,16,20,25-pentahydroxy-9-methyl-, (2a,3a,9b,10a,16a)-)

19-Norlanosta-5,23-diene-11,22-dione,2,3,16,20,25-pentahydroxy-9-methyl-, (2a,3a,9b,10a,16a)- structure
25383-23-7 structure
Product Name:19-Norlanosta-5,23-diene-11,22-dione,2,3,16,20,25-pentahydroxy-9-methyl-, (2a,3a,9b,10a,16a)-
CAS No:25383-23-7
MF:C30H46O7
MW:518.682050228119
CID:271085
PubChem ID:5281322
Update Time:2025-04-19

19-Norlanosta-5,23-diene-11,22-dione,2,3,16,20,25-pentahydroxy-9-methyl-, (2a,3a,9b,10a,16a)- Chemical and Physical Properties

Names and Identifiers

    • 19-Norlanosta-5,23-diene-11,22-dione,2,3,16,20,25-pentahydroxy-9-methyl-, (2a,3a,9b,10a,16a)-
    • (10α)-2α,3α,16α,20,25-Pentahydroxy-9β-methyl-19-norlanosta-5,23-diene-11,22-dione
    • Q27106268
    • Cucurbitacin O
    • (2beta,3beta,4alpha)-2,3,27-Trihydroxyolean-12-ene-23,28-dioic acid
    • CHEBI:3950
    • Olean-12-ene-23,28-dioic acid, 2,3,27-trihydroxy-, (2beta,3beta,4alpha)-
    • C08803
    • A,3
    • A-olean-12-ene-23,28-dioic acid
    • 25383-23-7
    • LMST01010113
    • (2R, 3S, 8S, 9R, 10R, 13R, 14S, 16R, 17R)-17-[(E, 2R)-2, 6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2, 3, 16-trihydroxy-4, 4, 9, 13, 14-pentamethyl-1, 2, 3, 7, 8, 10, 12, 15, 16, 17-decahydrocyclopenta[a]phenanthren-11-one
    • A,27-Trihydroxy-5
    • 2
    • SCHEMBL10307358
    • 2163-40-8
    • (2R,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
    • DTXSID001317175
    • Inchi： 1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1
    • InChI Key： AOHIGMQGPFTKQX-SSGGGWRTSA-N
    • SMILES： O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H]([C@@H](C[C@H]4[C@]3(C)C(C[C@]2(C)[C@H]1[C@@](C(/C=C/C(C)(C)O)=O)(C)O)=O)O)O

Computed Properties

  • Exact Mass: 518.324354
  • Monoisotopic Mass: 518.324354
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 4
  • Complexity: 1060
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 135
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.24
  • Boiling Point: 669.5°C at 760 mmHg
  • Flash Point: 372.7°C
  • Refractive Index: 1.587

19-Norlanosta-5,23-diene-11,22-dione,2,3,16,20,25-pentahydroxy-9-methyl-, (2a,3a,9b,10a,16a)- Related Literature

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