lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide

C23H30LiNO9 — CID 159298287

About lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide

lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide (PubChem CID 159298287) has the molecular formula C23H30LiNO9 and a molecular weight of 471.43 g/mol. Its IUPAC name is lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide.

Molecular Properties

• Compound Name: lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide
• PubChem CID: 159298287
• Molecular Formula: C23H30LiNO9
• Molecular Weight: 471.43 g/mol
• Exact Mass: 471.21
• IUPAC Name: lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide
• SMILES: CN1CC[C@]23c4c5ccc(OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.[Li+].[OH-]
• InChI: InChI=1S/C23H29NO8.Li.H2O/c1-24-7-6-23-11-3-4-13(26)21(23)32-20-14(5-2-10(16(20)23)8-12(11)24)30-22-19(29)18(28)17(27)15(9-25)31-22;;/h2,5,11-12,15,17-19,21-22,25,27-29H,3-4,6-9H2,1H3;;1H2/q;+1;/p-1/t11-,12+,15+,17+,18-,19+,21-,22?,23-;;/m0../s1
• InChIKey: GVKBDDDFGNNSDM-LBUODQDOSA-M
• XLogP: -4.07
• TPSA: 158.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.43
LogP ≤ 5	-4.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide?

The IUPAC name of lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide (CID 159298287) is lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide.

What is the SMILES notation for lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide?

The canonical SMILES for lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide is CN1CC[C@]23c4c5ccc(OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.[Li+].[OH-].

What is the InChIKey of lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide?

The InChIKey is GVKBDDDFGNNSDM-LBUODQDOSA-M. The full InChI is InChI=1S/C23H29NO8.Li.H2O/c1-24-7-6-23-11-3-4-13(26)21(23)32-20-14(5-2-10(16(20)23)8-12(11)24)30-22-19(29)18(28)17(27)15(9-25)31-22;;/h2,5,11-12,15,17-19,21-22,25,27-29H,3-4,6-9H2,1H3;;1H2/q;+1;/p-1/t11-,12+,15+,17+,18-,19+,21-,22?,23-;;/m0../s1.

What are the key properties of lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide?

lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide has a molecular weight of 471.43 g/mol, XLogP of -4.07, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(4R,4aR,7aR,12bS)-3-methyl-9-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydroxide is sourced from PubChem (CID 159298287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).