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Furanoeremophilane

PubChem CID: 101277374

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Compound Synonyms Furoeremophilane, 97GM5F3XWY, 8,12-Epoxyeremophila-7,11-diene, Eremophila-7,11-diene, 8,12-epoxy-, UNII-97GM5F3XWY, Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-, (4aR,5S,8aR)-, 6750-13-6, (4aR,5S,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho(2,3-b)furan, Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-, (4ar-(4aalpha,5alpha,8aalpha))-, (4aR,5S,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan, DTXSID401140669, NAPHTHO(2,3-B)FURAN, 4,4A,5,6,7,8,8A,9-OCTAHYDRO-3,4A,5-TRIMETHYL-, (4AR-(4A.ALPHA.,5.ALPHA.,8A.ALPHA.))-
Prediction Swissadme 0.0
Topological Polar Surface Area 13.1
Hydrogen Bond Donor Count 0.0
Inchi Key LCYZOSVRKHROOX-YWPYICTPSA-N
Fcsp3 0.7333333333333333
Rotatable Bond Count 0.0
Heavy Atom Count 16.0
Compound Name Furanoeremophilane
Prediction Hob Swissadme 0.0
Exact Mass 218.167
Formal Charge 0.0
Monoisotopic Mass 218.167
Isotope Atom Count 0.0
Molecular Complexity 275.0
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 218.33
Database Name cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 3.0
Iupac Name (4aR,5S,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Prediction Hob 0.0
Esol -4.436357999999999
Inchi InChI=1S/C15H22O/c1-10-9-16-14-7-12-6-4-5-11(2)15(12,3)8-13(10)14/h9,11-12H,4-8H2,1-3H3/t11-,12+,15+/m0/s1
Smiles C[C@H]1CCC[C@H]2[C@@]1(CC3=C(C2)OC=C3C)C
Xlogp 4.8
Defined Bond Stereocenter Count 0.0
Molecular Formula C15H22O