[(1R,4aS,4bS,6aR,7S,8S,10aR,10bS,11S,12R,12aS)-12-acetyloxy-7-[(2S)-2-(2-ethylphenyl)propyl]-1,3,3,4b,8,10a,12a-heptamethyl-7-oxidanyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]isochromen-11-yl] ethanoate

Systemtic Name: [(1R,4aS,4bS,6aR,7S,8S,10aR,10bS,11S,12R,12aS)-12-acetyloxy-7-[(2S)-2-(2-ethylphenyl)propyl]-1,3,3,4b,8,10a,12a-heptamethyl-7-oxidanyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]isochromen-11-yl] ethanoate Openeye Name: [(1R,4aS,4bS,6aR,7S,8S,10aR,10bS,11S,12R,12aS)-12-acetoxy-7-[(2S)-2-(2-ethylphenyl)propyl]-7-hydroxy-1,3,3,4b,8,10a,12a-heptamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]isochromen-11-yl] acetate CAS Name: acetic acid [(1R,4aS,4bS,6aR,7S,8S,10aR,10bS,11S,12R,12aS)-12-acetyloxy-7-[(2S)-2-(2-ethylphenyl)propyl]-7-hydroxy-1,3,3,4b,8,10a,12a-heptamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f][2]benzopyran-11-yl] ester IUPAC Name: [(1R,4aS,4bS,6aR,7S,8S,10aR,10bS,11S,12R,12aS)-12-acetyloxy-7-[(2S)-2-(2-ethylphenyl)propyl]-7-hydroxy-1,3,3,4b,8,10a,12a-heptamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]isochromen-11-yl] acetate Traditional Name: acetic acid [(1R,4aS,4bS,6aR,7S,8S,10aR,10bS,11S,12R,12aS)-12-acetoxy-7-[(2S)-2-(2-ethylphenyl)propyl]-7-hydroxy-1,3,3,4b,8,10a,12a-heptamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydronaphth[2,1-f]isochromen-11-yl] ester Formula: C39H60O6 MolecularWeight: 624.8901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(C)CC2(C(CCC3(C2CCC4(C3C(C(C5(C4CC(OC5C)(C)C)C)OC(=O)C)OC(=O)C)C)C)C)O

Isomeric SMILES

CCC1=CC=CC=C1[C@@H](C)C[C@@]2([C@H](CC[C@]3([C@H]2CC[C@@]4([C@@H]3[C@@H]([C@@H]([C@]5([C@H]4CC(O[C@@H]5C)(C)C)C)OC(=O)C)OC(=O)C)C)C)C)O

InChI

InChI=1S/C39H60O6/c1-12-28-15-13-14-16-29(28)23(2)21-39(42)24(3)17-19-36(9)30(39)18-20-37(10)31-22-35(7,8)45-25(4)38(31,11)34(44-27(6)41)32(33(36)37)43-26(5)40/h13-16,23-25,30-34,42H,12,17-22H2,1-11H3/t23-,24-,25+,30+,31-,32-,33+,34-,36-,37-,38+,39-/m0/s1