Cas no 24436-08-6 (Ophiobolin D)

Ophiobolin D structure
Ophiobolin D structure
Product Name:Ophiobolin D
CAS No:24436-08-6
MF:C25H36O4
MW:400.550948143005
CID:272701
Update Time:2024-03-01

Ophiobolin D Chemical and Physical Properties

Names and Identifiers

    • Dicyclopenta[a,d]cyclooctene-4-carboxylicacid,7-[(1S)-1,5-dimethyl-4-hexen-1-yl]-3,5,6,6a,7,8,9,9a,10,10a-decahydro-5-hydroxy-1,9a-dimethyl-3-oxo-,(5S,6aS,7R,9aR,10aR)-
    • Dicyclopenta[a,d]cyclooctene-4-carboxylicacid,7-[(1S)-1,5-dimethyl-4-hexen-1-yl]-3,5,6,6a,7,8,9,9a,10,10a-decahydro-5-hydroxy
    • Dicyclopenta[a,d]cyclooctene-4-carboxylic acid,7-(1,5-dimethyl-4-hexenyl)-3,5,6,6a,7,8,9,9a,10,10a-decahydro-5-hydroxy-1,9a-dimethyl-3-oxo-,[5S-
    • Dicyclopenta[a,d]cyclooctene-4-carboxylicacid,7-[(1S)-1,5-dimethyl-4-hexenyl]-3,5,6,6a,7,8,9,9a,10,10a-decahydro-5-hydroxy-1,9a-dimethyl-3-oxo-,(5S,6aS,7R,9aR,10aR)- (9CI)
    • Ophiobola-3,6,19-trien-25-oic acid, 8b-hydroxy-5-oxo- (8CI)
    • Ophiobola-3,6,19-trien-25-oic acid,8-hydroxy-5-oxo-, (8b)-
    • Ophiobolin D
    • Inchi: 1S/C25H36O4/c1-14(2)7-6-8-15(3)17-9-10-25(5)13-18-16(4)11-20(26)22(18)23(24(28)29)21(27)12-19(17)25/h7,11,15,17-19,21,27H,6,8-10,12-13H2,1-5H3,(H,28,29)/b23-22-/t15-,17+,18+,19-,21-,25+/m0/s1
    • InChI Key: YNWCHERLWLNYDO-XZKHBFSXSA-N
    • SMILES: O[C@@H]1C(C(=O)O)=C2C(C=C(C)[C@H]2C[C@@]2(C)CC[C@H]([C@@H](C)CC/C=C(\C)/C)[C@@H]2C1)=O |t:5|

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 783
  • Topological Polar Surface Area: 74.6
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