Cas no 10072-61-4 (29-Nordammara-1,17(20),24-trien-21-oicacid, 16-(acetyloxy)-7-hydroxy-3,6-dioxo-, (4a,7a,8a,9b,13a,14b,16b,17Z)- (9CI))

29-Nordammara-1,17(20),24-trien-21-oicacid, 16-(acetyloxy)-7-hydroxy-3,6-dioxo-, (4a,7a,8a,9b,13a,14b,16b,17Z)- (9CI) structure
10072-61-4 structure
Product Name:29-Nordammara-1,17(20),24-trien-21-oicacid, 16-(acetyloxy)-7-hydroxy-3,6-dioxo-, (4a,7a,8a,9b,13a,14b,16b,17Z)- (9CI)
CAS No:10072-61-4
MF:C31H42O7
MW:526.66099023819
CID:166844
PubChem ID:45359162
Update Time:2025-04-19

29-Nordammara-1,17(20),24-trien-21-oicacid, 16-(acetyloxy)-7-hydroxy-3,6-dioxo-, (4a,7a,8a,9b,13a,14b,16b,17Z)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 29-Nordammara-1,17(20),24-trien-21-oicacid, 16-(acetyloxy)-7-hydroxy-3,6-dioxo-, (4a,7a,8a,9b,13a,14b,16b,17Z)- (9CI)
    • (8α,9β,13α,14β,17Z)-16β-(Acetyloxy)-7α-hydroxy-3,6-dioxo-29-nor-5α-dammara-1,17(20),24-trien-21-oic acid
    • 29-Nor-8a,9b,13a,14b-dammara-1,17(20),24-trien-21-oicacid, 7a,16b-dihydroxy-3,6-dioxo-, 16-acetate, (Z)- (8CI)
    • Helvolinic acid (6CI,7CI)
    • NCGC00380815-01
    • AKOS040736462
    • Helvolinic acid
    • NCGC00380815-01_C31H42O7_5-Heptenoic acid, 2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17E)-16-(acetyloxy)-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methyl-, (2E)-
    • 10072-61-4
    • Inchi： 1S/C31H42O7/c1-16(2)9-8-10-19(28(36)37)24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(34)27(35)31(23,7)30(20,6)15-22(24)38-18(4)32/h9,13-14,17,20,22-23,25-26,34H,8,10-12,15H2,1-7H3,(H,36,37)/b24-19+/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1
    • InChI Key： ZGQQEJUGWPCCHA-IDDAUYTMSA-N
    • SMILES： O(C(C)=O)[C@@H]1/C(=C(/C(=O)O)\CC/C=C(\C)/C)/[C@@H]2CC[C@H]3[C@]4(C=CC([C@@H](C)[C@@H]4[C@@H](C([C@]3(C)[C@@]2(C)C1)=O)O)=O)C

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 526.29305367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 6
  • Complexity: 1160
  • 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
  • XLogP3: 4.5
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • PSA: 52.54

29-Nordammara-1,17(20),24-trien-21-oicacid, 16-(acetyloxy)-7-hydroxy-3,6-dioxo-, (4a,7a,8a,9b,13a,14b,16b,17Z)- (9CI) Related Literature

Related Categories

10072-61-4 (29-Nordammara-1,17(20),24-trien-21-oicacid, 16-(acetyloxy)-7-hydroxy-3,6-dioxo-, (4a,7a,8a,9b,13a,14b,16b,17Z)- (9CI)) Related Products

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