[(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol

C37H61NO12 — CID 154732869

About [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol

[(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol (PubChem CID 154732869) has the molecular formula C37H61NO12 and a molecular weight of 711.89 g/mol. Its IUPAC name is [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol.

Molecular Properties

• Compound Name: [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol
• PubChem CID: 154732869
• Molecular Formula: C37H61NO12
• Molecular Weight: 711.89 g/mol
• Exact Mass: 711.42
• IUPAC Name: [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CCC2C3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5
• InChI: InChI=1S/C37H61NO12/c1-38-8-7-37-31-5-6-33(36(37)50-35-30(28-39)4-3-29(34(35)37)27-32(31)38)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,31-33,36,39H,5-28H2,1-2H3/t31?,32?,33-,36-,37-/m0/s1
• InChIKey: OJURECAAUBPJOJ-FBRHDYSSSA-N
• XLogP: 2.01
• TPSA: 125.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.89
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol?

The IUPAC name of [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol (CID 154732869) is [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol.

What is the SMILES notation for [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol?

The canonical SMILES for [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol is COCCOCCOCCOCCOCCOCCOCCOCCOCCO[C@H]1CCC2C3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.

What is the InChIKey of [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol?

The InChIKey is OJURECAAUBPJOJ-FBRHDYSSSA-N. The full InChI is InChI=1S/C37H61NO12/c1-38-8-7-37-31-5-6-33(36(37)50-35-30(28-39)4-3-29(34(35)37)27-32(31)38)49-26-25-48-24-23-47-22-21-46-20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-40-2/h3-4,31-33,36,39H,5-28H2,1-2H3/t31?,32?,33-,36-,37-/m0/s1.

What are the key properties of [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol?

[(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol has a molecular weight of 711.89 g/mol, XLogP of 2.01, 29 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]methanol is sourced from PubChem (CID 154732869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).