(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol

C107H133N13O30 — CID 172928850

About (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol

(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol (PubChem CID 172928850) has the molecular formula C107H133N13O30 and a molecular weight of 2081.30 g/mol. Its IUPAC name is (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol.

Molecular Properties

• Compound Name: (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
• PubChem CID: 172928850
• Molecular Formula: C107H133N13O30
• Molecular Weight: 2081.30 g/mol
• Exact Mass: 2079.93
• IUPAC Name: (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
• SMILES: COc1ccc2c3c1O[C@H]1/C(=N/OCC(=O)NCC(=O)NCC(=O)NCC(=O)C(=O)CNC(=O)O)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1/C(=N/OCC(=O)O)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1[C@@H](N)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1[C@@H](NC(=O)CCC(=O)O)CC[C@@]4(O)C(C2)N(C)CC[C@]314
• InChI: InChI=1S/C29H36N6O11.C22H28N2O6.C20H24N2O6.C18H24N2O3.C18H21NO4/c1-35-8-7-28-24-15-3-4-19(44-2)25(24)46-26(28)16(5-6-29(28,43)20(35)9-15)34-45-14-23(40)32-13-22(39)31-12-21(38)30-10-17(36)18(37)11-33-27(41)42;1-24-10-9-21-18-12-3-4-14(29-2)19(18)30-20(21)13(23-16(25)5-6-17(26)27)7-8-22(21,28)15(24)11-12;1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11;1-20-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(19)5-6-18(17,21)13(20)9-10;1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,20,26,33,43H,5-14H2,1-2H3,(H,30,38)(H,31,39)(H,32,40)(H,41,42);3-4,13,15,20,28H,5-11H2,1-2H3,(H,23,25)(H,26,27);3-4,14,18,25H,5-10H2,1-2H3,(H,23,24);3-4,11,13,16,21H,5-9,19H2,1-2H3;3-4,13,16,21H,5-9H2,1-2H3/b34-16+;;21-12+;;/t20?,26-,28-,29+;13-,15?,20-,21-,22+;14?,18-,19-,20+;11-,13?,16-,17-,18+;13?,16-,17-,18+/m00000/s1
• InChIKey: PXEMBSIJYCJVMB-FQUHBIGJSA-N
• XLogP: 1.23
• TPSA: 570.39 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.30
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol?

The IUPAC name of (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol (CID 172928850) is (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol.

What is the SMILES notation for (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol?

The canonical SMILES for (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol is COc1ccc2c3c1O[C@H]1/C(=N/OCC(=O)NCC(=O)NCC(=O)NCC(=O)C(=O)CNC(=O)O)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1/C(=N/OCC(=O)O)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1[C@@H](N)CC[C@@]4(O)C(C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1[C@@H](NC(=O)CCC(=O)O)CC[C@@]4(O)C(C2)N(C)CC[C@]314.

What is the InChIKey of (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol?

The InChIKey is PXEMBSIJYCJVMB-FQUHBIGJSA-N. The full InChI is InChI=1S/C29H36N6O11.C22H28N2O6.C20H24N2O6.C18H24N2O3.C18H21NO4/c1-35-8-7-28-24-15-3-4-19(44-2)25(24)46-26(28)16(5-6-29(28,43)20(35)9-15)34-45-14-23(40)32-13-22(39)31-12-21(38)30-10-17(36)18(37)11-33-27(41)42;1-24-10-9-21-18-12-3-4-14(29-2)19(18)30-20(21)13(23-16(25)5-6-17(26)27)7-8-22(21,28)15(24)11-12;1-22-8-7-19-16-11-3-4-13(26-2)17(16)28-18(19)12(21-27-10-15(23)24)5-6-20(19,25)14(22)9-11;1-20-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(19)5-6-18(17,21)13(20)9-10;1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,20,26,33,43H,5-14H2,1-2H3,(H,30,38)(H,31,39)(H,32,40)(H,41,42);3-4,13,15,20,28H,5-11H2,1-2H3,(H,23,25)(H,26,27);3-4,14,18,25H,5-10H2,1-2H3,(H,23,24);3-4,11,13,16,21H,5-9,19H2,1-2H3;3-4,13,16,21H,5-9H2,1-2H3/b34-16+;;21-12+;;/t20?,26-,28-,29+;13-,15?,20-,21-,22+;14?,18-,19-,20+;11-,13?,16-,17-,18+;13?,16-,17-,18+/m00000/s1.

What are the key properties of (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol?

(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol has a molecular weight of 2081.30 g/mol, XLogP of 1.23, 24 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid;[4-[[2-[[2-[[2-[(E)-[(4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetyl]amino]acetyl]amino]acetyl]amino]-2,3-dioxobutyl]carbamic acid;4-[[(4aS,7S,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobutanoic acid;(4aS,7S,7aR,12bS)-7-amino-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol is sourced from PubChem (CID 172928850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).