4-[[(2R,4R)-4'-[(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 11135677

IUPAC4-[[(2R,4R)-4'-[(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
SMILESCC(C)(O)[C@H](O)COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1
InChIInChI=1S/C32H30O11/c1-30(2,35)25(33)15-38-29-18-7-10-32(41-24(18)14-22-20(29)9-12-37-22)42-26(31(3,4)43-32)16-39-28-17-5-6-27(34)40-23(17)13-21-19(28)8-11-36-21/h5-14,25-26,33,35H,15-16H2,1-4H3/t25-,26-,32+/m1/s1
InChIKeyJYGBUNBAQUBPQH-VHNUMCGNSA-N
MW590.58 g/mol
LogP5.13
Rot. Bonds7

About 4-[[(2R,4R)-4'-[(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

4-[[(2R,4R)-4'-[(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 11135677) has the molecular formula C32H30O11 and a molecular weight of 590.58 g/mol. Its IUPAC name is 4-[[(2R,4R)-4'-[(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 Name4-[[(2R,4R)-4'-[(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 CID11135677
Molecular FormulaC32H30O11
Molecular Weight590.58 g/mol
Exact Mass590.18
IUPAC Name4-[[(2R,4R)-4'-[(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
SMILESCC(C)(O)[C@H](O)COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1
InChIInChI=1S/C32H30O11/c1-30(2,35)25(33)15-38-29-18-7-10-32(41-24(18)14-22-20(29)9-12-37-22)42-26(31(3,4)43-32)16-39-28-17-5-6-27(34)40-23(17)13-21-19(28)8-11-36-21/h5-14,25-26,33,35H,15-16H2,1-4H3/t25-,26-,32+/m1/s1
InChIKeyJYGBUNBAQUBPQH-VHNUMCGNSA-N
XLogP5.13
TPSA143.10 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500590.58
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[[(2R,4R)-4'-[(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 with MolForge

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Related Compounds

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
4-[[(2S,4R)-4'-methoxy-5,5-dimethyl-9'-(3-methylbut-2-enoxy)spiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
CID 155558463
7-[(E)-5-[(2S,4R)-4'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]-3-methylpent-2-enoxy]chromen-2-one
CID 59959320
7-[[(E)-5-[4'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]-3-methylpent-2-enyl]amino]chromen-2-one
CID 143436879
4-[(E)-5-[(2S,4R)-7'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,2'-chromene]-4-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
CID 59959324
4-[(E)-5-[(2R)-7'-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-5,5-dimethylspiro[1,3-dioxolane-2,2'-chromene]-4-yl]-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
CID 59877604
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] acetate
CID 162940098
4-[(2S)-2-hydroxy-2-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethoxy]furo[3,2-g]chromen-7-one
CID 11646755
9-[[(2S,4R)-9'-[(2R)-2-hydroxy-3-methyl-3-[(2S)-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybut-3-en-2-yl]oxybutoxy]-5,5-dimethylspiro[1,3-dioxolane-2,7'-furo[3,2-g]chromene]-4-yl]methoxy]furo[3,2-g]chromen-7-one
CID 162899756
(4S,6R,7R)-4,6,7-trihydroxy-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyoct-2-enoic acid
CID 162956678
4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one
CID 73050517
4-[(2S)-2,3-dihydroxy-3-methylbutoxy]-9-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 162987520

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,4R)-4'-[(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 4-[[(2R,4R)-4'-[(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 11135677) is 4-[[(2R,4R)-4'-[(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 4-[[(2R,4R)-4'-[(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 4-[[(2R,4R)-4'-[(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(cc3occc13)O[C@@]1(C=C2)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1.
What is the InChIKey of 4-[[(2R,4R)-4'-[(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 JYGBUNBAQUBPQH-VHNUMCGNSA-N. The full InChI is InChI=1S/C32H30O11/c1-30(2,35)25(33)15-38-29-18-7-10-32(41-24(18)14-22-20(29)9-12-37-22)42-26(31(3,4)43-32)16-39-28-17-5-6-27(34)40-23(17)13-21-19(28)8-11-36-21/h5-14,25-26,33,35H,15-16H2,1-4H3/t25-,26-,32+/m1/s1.
What are the key properties of 4-[[(2R,4R)-4'-[(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?
4-[[(2R,4R)-4'-[(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 4-[[(2R,4R)-4'-[(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 11135677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).