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Ent-sandaracopimaradiene

PubChem CID: 12314278

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Compound Synonyms ent-sandaracopimaradiene, 21738-16-9, ent-sandaracopimara-8(14),15-diene, (+)-Sandaracopimaradiene, (4aR,4bR,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene, 5beta,9beta,10alpha-pimara-8(14),15-diene, CHEBI:50061, DTXSID40487437, ent-13alpha-Pimara-8(14),15-diene, Q27104747, ent-sandaracopimara-8(14),15-dienesandaracopimara-8(14),15-diene
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 441.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (4aR,4bR,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
Prediction Hob 1.0
Xlogp 7.0
Molecular Formula C20H32
Prediction Swissadme 0.0
Inchi Key XDSYKASBVOZOAG-LFGUQSLTSA-N
Fcsp3 0.8
Logs -2.504
Rotatable Bond Count 1.0
Logd 0.959
Compound Name Ent-sandaracopimaradiene
Prediction Hob Swissadme 0.0
Exact Mass 272.25
Formal Charge 0.0
Monoisotopic Mass 272.25
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 272.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -5.8922512
Inchi InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m1/s1
Smiles C[C@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CCCC3(C)C)C)C=C
Nring 1.0
Defined Bond Stereocenter Count 0.0