9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one

C32H30O11 — CID 10769724

About 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one

9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one (PubChem CID 10769724) has the molecular formula C32H30O11 and a molecular weight of 590.58 g/mol. Its IUPAC name is 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

• Compound Name: 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
• PubChem CID: 10769724
• Molecular Formula: C32H30O11
• Molecular Weight: 590.58 g/mol
• Exact Mass: 590.18
• IUPAC Name: 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
• SMILES: CC(C)(O)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1
• InChI: InChI=1S/C32H30O11/c1-30(2,35)21(33)15-38-29-25-20(9-12-37-25)14-18-7-10-32(42-27(18)29)41-22(31(3,4)43-32)16-39-28-24-19(8-11-36-24)13-17-5-6-23(34)40-26(17)28/h5-14,21-22,33,35H,15-16H2,1-4H3/t21-,22-,32-/m1/s1
• InChIKey: RQSPCDMBNUXDLD-VOSQCMCKSA-N
• XLogP: 5.13
• TPSA: 143.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	590.58
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one?

The IUPAC name of 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one (CID 10769724) is 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one.

What is the SMILES notation for 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one?

The canonical SMILES for 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one is CC(C)(O)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1.

What is the InChIKey of 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one?

The InChIKey is RQSPCDMBNUXDLD-VOSQCMCKSA-N. The full InChI is InChI=1S/C32H30O11/c1-30(2,35)21(33)15-38-29-25-20(9-12-37-25)14-18-7-10-32(42-27(18)29)41-22(31(3,4)43-32)16-39-28-24-19(8-11-36-24)13-17-5-6-23(34)40-26(17)28/h5-14,21-22,33,35H,15-16H2,1-4H3/t21-,22-,32-/m1/s1.

What are the key properties of 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one?

9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one has a molecular weight of 590.58 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[(2S,4R)-9'-[(2R)-2,3-dihydroxy-3-methylbutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 10769724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).