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(3S,3aS,4S,4aR,5S,9aR)-3-[(4-benzyl-1-piperidinyl)methyl]-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID AoaOhdlnphV
InChI InChI=1S/C27H37NO3/c1-18-7-6-10-21-16-23-24(25(29)27(18,21)2)22(26(30)31-23)17-28-13-11-20(12-14-28)15-19-8-4-3-5-9-19/h3-5,8-10,18,20,22-25,29H,6-7,11-17H2,1-2H3/t18?,22?,23-,24-,25?,27-/m1/s1
InChIKey LFQOBUGWTJTTGE-QOUSLOHLSA-N
Mol Weight 423.6 g/mol
Molecular Formula C27H37NO3
Exact Mass 423.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwyV8rfJknD
Name (3S,3aS,4S,4aR,5S,9aR)-3-[(4-benzyl-1-piperidinyl)methyl]-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
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Formula C27H37NO3
InChI InChI=1S/C27H37NO3/c1-18-7-6-10-21-16-23-24(25(29)27(18,21)2)22(26(30)31-23)17-28-13-11-20(12-14-28)15-19-8-4-3-5-9-19/h3-5,8-10,18,20,22-25,29H,6-7,11-17H2,1-2H3/t18?,22?,23-,24-,25?,27-/m1/s1
InChIKey LFQOBUGWTJTTGE-QOUSLOHLSA-N
Molecular Weight 423.597 g/mol
SMILES OC1[C@@]2(C(CCC=C2C[C@@]2([C@]1(C(C(O2)=O)CN1CCC(Cc2ccccc2)CC1)[H])[H])C)C
SPLASH splash10-000i-6900000000-763c6da1fbf593564987
Synonyms 3-(4-Benzyl-piperidin-1-ylmethyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one (3aS,4aR,9aR)-4-hydroxy-4a,5-dimethyl-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-3-[(4-benzylpiperidin-1-yl)methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aS,4aR,9aR)-3-[(4-benzyl-1-piperidyl)methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-4a,5-dimethyl-4-oxidanyl-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID 1444449