Cas no 158846-18-5 (Butanoic acid,3-hydroxy-,[1-[2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-2-phenanthrenyl]methylester (9CI))

Butanoic acid,3-hydroxy-,[1-[2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-2-phenanthrenyl]methylester (9CI) structure
158846-18-5 structure
Product Name:Butanoic acid,3-hydroxy-,[1-[2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-2-phenanthrenyl]methylester (9CI)
CAS No:158846-18-5
MF:C29H44O7
MW:504.655469894409
CID:182219
Update Time:2024-03-01

Butanoic acid,3-hydroxy-,[1-[2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-2-phenanthrenyl]methylester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,3-hydroxy-,[1-[2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-2-phenanthrenyl]methylester (9CI)
    • SpongianolideB
    • Butanoic acid,3-hydroxy-,[1-[2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl
    • Butanoic acid, 3-hydroxy-, [1-[2-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)ethenyl]tetradecahydro-2-hydroxy-4b,8,8,10a-tetramethyl-2-phenanthrenyl]methyl ester (9CI)
    • SMR001216065
    • MLS001250217
    • Inchi: 1S/C29H44O7/c1-18(30)15-23(31)35-17-29(34)14-10-21-27(4)12-6-11-26(2,3)20(27)9-13-28(21,5)22(29)8-7-19-16-24(32)36-25(19)33/h7-8,16,18,20-22,25,30,33-34H,6,9-15,17H2,1-5H3
    • InChI Key: VEEYNOVEZPHQEL-UHFFFAOYSA-N
    • SMILES: C(OCC1(O)CCC2C(C)(C1C=CC1=CC(=O)OC1O)CCC1C2(C)CCCC1(C)C)(=O)CC(O)C

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • XLogP3: 6.313
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