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Hirsutic acid C

PubChem CID: 442376

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Compound Synonyms Hirsutic acid C, 3650-17-7, UNII-81WU46AI9A, 81WU46AI9A, (1S,3R,5S,7R,8R,10R,11R)-10-hydroxy-5,8-dimethyl-9-methylidene-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid, Cyclopenta(4,5)pentaleno(1,6a-b)oxirene-5-carboxylic acid, decahydro-2-hydroxy-3a,5-dimethyl-3-methylene-, (1aR-(1aalpha,2beta,3abeta,3balpha,5alpha,6aalpha,7aS*))-, C09683, HIRSUTIC ACID C [MI], (+)-HIRSUTIC ACID C, CHEBI:5727, DTXSID90190000, HIRSUTIC ACID C, (+)-, Q27106871, 6.BETA.,6A.BETA.-EPOXY-2,3,3A.ALPHA.,3B,4,5,6,6A,7,7A.ALPHA.-DECAHYDRO-5.BETA.-HYDROXY-2.BETA.,3B.BETA.-DIMETHYL-4-METHYLENE-1H-CYCLOPENTA(A)PENTALENE-2-CARBOXYLIC ACID, CYCLOPENTA(4,5)PENTALENO(1,6A-B)OXIRENE-5-CARBOXYLIC ACID, DECAHYDRO-2-HYDROXY-3A,5-DIMETHYL-3-METHYLENE-, (1AR,2R,3AR,3BR,5S,6AR,7AS)-
Topological Polar Surface Area 70.1
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 514.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name (1S,3R,5S,7R,8R,10R,11R)-10-hydroxy-5,8-dimethyl-9-methylidene-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid
Prediction Hob 1.0
Xlogp 0.8
Molecular Formula C15H20O4
Prediction Swissadme 1.0
Inchi Key IZLOHISHEUGGDJ-BLYYJXBTSA-N
Fcsp3 0.8
Logs -3.133
Rotatable Bond Count 1.0
Logd 0.512
Compound Name Hirsutic acid C
Prediction Hob Swissadme 1.0
Exact Mass 264.136
Formal Charge 0.0
Monoisotopic Mass 264.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 264.32
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -1.9293901999999996
Inchi InChI=1S/C15H20O4/c1-7-10(16)11-15(19-11)5-8-4-13(2,12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1
Smiles C[C@@]1(C[C@@H]2C[C@]34[C@H](O3)[C@@H](C(=C)[C@]4([C@@H]2C1)C)O)C(=O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0