[(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate

C34H34O8 — CID 54763578

About [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate

[(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate (PubChem CID 54763578) has the molecular formula C34H34O8 and a molecular weight of 570.64 g/mol. Its IUPAC name is [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate.

Molecular Properties

• Compound Name: [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate
• PubChem CID: 54763578
• Molecular Formula: C34H34O8
• Molecular Weight: 570.64 g/mol
• Exact Mass: 570.23
• IUPAC Name: [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate
• SMILES: C=C(C)[C@@H](O)Cc1c2c(c(O)c3c1O[C@H](c1ccccc1)[C@@H](OC(=O)[C@H](OC)c1ccccc1)C3=O)C=CC(C)(C)O2
• InChI: InChI=1S/C34H34O8/c1-19(2)24(35)18-23-30-22(16-17-34(3,4)42-30)26(36)25-27(37)32(28(40-31(23)25)20-12-8-6-9-13-20)41-33(38)29(39-5)21-14-10-7-11-15-21/h6-17,24,28-29,32,35-36H,1,18H2,2-5H3/t24-,28+,29+,32-/m0/s1
• InChIKey: LXWCSJJRCDIGBO-LLKBWFLCSA-N
• XLogP: 5.67
• TPSA: 111.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.64
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate?

The IUPAC name of [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate (CID 54763578) is [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate.

What is the SMILES notation for [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate?

The canonical SMILES for [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate is C=C(C)[C@@H](O)Cc1c2c(c(O)c3c1O[C@H](c1ccccc1)[C@@H](OC(=O)[C@H](OC)c1ccccc1)C3=O)C=CC(C)(C)O2.

What is the InChIKey of [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate?

The InChIKey is LXWCSJJRCDIGBO-LLKBWFLCSA-N. The full InChI is InChI=1S/C34H34O8/c1-19(2)24(35)18-23-30-22(16-17-34(3,4)42-30)26(36)25-27(37)32(28(40-31(23)25)20-12-8-6-9-13-20)41-33(38)29(39-5)21-14-10-7-11-15-21/h6-17,24,28-29,32,35-36H,1,18H2,2-5H3/t24-,28+,29+,32-/m0/s1.

What are the key properties of [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate?

[(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate has a molecular weight of 570.64 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 54763578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).