(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane

C150H173Cl2N5O55 — CID 157142833

About (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane

(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane (PubChem CID 157142833) has the molecular formula C150H173Cl2N5O55 and a molecular weight of 2996.92 g/mol. Its IUPAC name is (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane.

Molecular Properties

• Compound Name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane
• PubChem CID: 157142833
• Molecular Formula: C150H173Cl2N5O55
• Molecular Weight: 2996.92 g/mol
• Exact Mass: 2994.03
• IUPAC Name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane
• SMILES: C1CCOC1.CC(=O)C[C@H](OC(C)=O)C(=O)ON1C(=O)CCC1=O.CC(=O)O[C@@H](CC(=O)O)C(=O)O[C@H](C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)c1ccccc1.CC(=O)O[C@@H](CC(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)O)c1ccccc1.CC(=O)O[C@@H](CC(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)c1ccccc1.CC(=O)O[C@@H](CC(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.ClCCl.O=C(O)[C@@H](O)c1ccccc1
• InChI: InChI=1S/C36H41NO11.C32H33NO11.C22H25NO10.C18H21NO4.C18H22O8.C11H13NO7.C8H8O3.C4H8O.CH2Cl2/c1-20(39)44-25(18-27(40)48-34(2,3)4)32(41)47-30(21-9-7-6-8-10-21)33(42)45-24-13-14-36(43)26-17-22-11-12-23(19-38)29-28(22)35(36,31(24)46-29)15-16-37(26)5;1-17(35)41-22(15-24(36)37)29(38)44-27(18-6-4-3-5-7-18)30(39)42-21-10-11-32(40)23-14-19-8-9-20(16-34)26-25(19)31(32,28(21)43-26)12-13-33(23)2;1-13(24)30-15(12-18(27)32-22(2,3)4)20(28)31-19(14-8-6-5-7-9-14)21(29)33-23-16(25)10-11-17(23)26;1-19-7-6-17-14-10-2-3-11(9-20)15(14)23-16(17)12(21)4-5-18(17,22)13(19)8-10;1-11(19)24-13(10-14(20)26-18(2,3)4)17(23)25-15(16(21)22)12-8-6-5-7-9-12;1-6(13)5-8(18-7(2)14)11(17)19-12-9(15)3-4-10(12)16;9-7(8(10)11)6-4-2-1-3-5-6;1-2-4-5-3-1;2-1-3/h6-13,25-26,30-31,38,43H,14-19H2,1-5H3;3-10,22-23,27-28,34,40H,11-16H2,1-2H3,(H,36,37);5-9,15,19H,10-12H2,1-4H3;2-3,13,16,20,22H,4-9H2,1H3;5-9,13,15H,10H2,1-4H3,(H,21,22);8H,3-5H2,1-2H3;1-5,7,9H,(H,10,11);1-4H2;1H2/t25-,26+,30-,31-,35-,36+;22-,23+,27-,28-,31-,32+;15-,19-;13-,16+,17+,18-;13-,15-;8-;7-;;/m0001000../s1
• InChIKey: AKJNCTVVZWPZBB-SYYLQMAZSA-N
• XLogP: 11.26
• TPSA: 829.85 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 55
• Rotatable Bonds: 41
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2996.92
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane?

The IUPAC name of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane (CID 157142833) is (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane.

What is the SMILES notation for (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane?

The canonical SMILES for (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane is C1CCOC1.CC(=O)C[C@H](OC(C)=O)C(=O)ON1C(=O)CCC1=O.CC(=O)O[C@@H](CC(=O)O)C(=O)O[C@H](C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)c1ccccc1.CC(=O)O[C@@H](CC(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)O)c1ccccc1.CC(=O)O[C@@H](CC(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)c1ccccc1.CC(=O)O[C@@H](CC(=O)OC(C)(C)C)C(=O)O[C@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.ClCCl.O=C(O)[C@@H](O)c1ccccc1.

What is the InChIKey of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane?

The InChIKey is AKJNCTVVZWPZBB-SYYLQMAZSA-N. The full InChI is InChI=1S/C36H41NO11.C32H33NO11.C22H25NO10.C18H21NO4.C18H22O8.C11H13NO7.C8H8O3.C4H8O.CH2Cl2/c1-20(39)44-25(18-27(40)48-34(2,3)4)32(41)47-30(21-9-7-6-8-10-21)33(42)45-24-13-14-36(43)26-17-22-11-12-23(19-38)29-28(22)35(36,31(24)46-29)15-16-37(26)5;1-17(35)41-22(15-24(36)37)29(38)44-27(18-6-4-3-5-7-18)30(39)42-21-10-11-32(40)23-14-19-8-9-20(16-34)26-25(19)31(32,28(21)43-26)12-13-33(23)2;1-13(24)30-15(12-18(27)32-22(2,3)4)20(28)31-19(14-8-6-5-7-9-14)21(29)33-23-16(25)10-11-17(23)26;1-19-7-6-17-14-10-2-3-11(9-20)15(14)23-16(17)12(21)4-5-18(17,22)13(19)8-10;1-11(19)24-13(10-14(20)26-18(2,3)4)17(23)25-15(16(21)22)12-8-6-5-7-9-12;1-6(13)5-8(18-7(2)14)11(17)19-12-9(15)3-4-10(12)16;9-7(8(10)11)6-4-2-1-3-5-6;1-2-4-5-3-1;2-1-3/h6-13,25-26,30-31,38,43H,14-19H2,1-5H3;3-10,22-23,27-28,34,40H,11-16H2,1-2H3,(H,36,37);5-9,15,19H,10-12H2,1-4H3;2-3,13,16,20,22H,4-9H2,1H3;5-9,13,15H,10H2,1-4H3,(H,21,22);8H,3-5H2,1-2H3;1-5,7,9H,(H,10,11);1-4H2;1H2/t25-,26+,30-,31-,35-,36+;22-,23+,27-,28-,31-,32+;15-,19-;13-,16+,17+,18-;13-,15-;8-;7-;;/m0001000../s1.

What are the key properties of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane?

(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane has a molecular weight of 2996.92 g/mol, XLogP of 11.26, 41 rotatable bonds, 10 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(3S)-4-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethoxy]-3-acetyloxy-4-oxobutanoic acid;1-O-[(1S)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 4-O-tert-butyl (2S)-2-acetyloxybutanedioate;(2S)-2-[(2S)-2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxy-2-phenylacetic acid;4-O-tert-butyl 1-O-[(1S)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] (2S)-2-acetyloxybutanedioate;dichloromethane;(2,5-dioxopyrrolidin-1-yl) (2S)-2-acetyloxy-4-oxopentanoate;(2S)-2-hydroxy-2-phenylacetic acid;oxolane is sourced from PubChem (CID 157142833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).