[(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate

C41H44O14 — CID 163011084

About [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate

[(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate (PubChem CID 163011084) has the molecular formula C41H44O14 and a molecular weight of 760.79 g/mol. Its IUPAC name is [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
• PubChem CID: 163011084
• Molecular Formula: C41H44O14
• Molecular Weight: 760.79 g/mol
• Exact Mass: 760.27
• IUPAC Name: [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
• SMILES: COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O[C@@H]3c4ccc(OC)c(OC)c4O[C@H](c4ccc(OC)c(OC)c4)[C@@H]3OC(C)=O)[C@H]2OC(C)=O)cc1
• InChI: InChI=1S/C41H44O14/c1-21(42)51-40-32(23-10-13-25(44-3)14-11-23)53-34-26(15-18-29(46-5)38(34)49-8)36(40)55-37-27-16-19-30(47-6)39(50-9)35(27)54-33(41(37)52-22(2)43)24-12-17-28(45-4)31(20-24)48-7/h10-20,32-33,36-37,40-41H,1-9H3/t32-,33-,36+,37-,40+,41+/m1/s1
• InChIKey: SZSOTHZTGMAMEU-IKVXGVKESA-N
• XLogP: 6.68
• TPSA: 144.90 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	760.79
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?

The IUPAC name of [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate (CID 163011084) is [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate.

What is the SMILES notation for [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?

The canonical SMILES for [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate is COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O[C@@H]3c4ccc(OC)c(OC)c4O[C@H](c4ccc(OC)c(OC)c4)[C@@H]3OC(C)=O)[C@H]2OC(C)=O)cc1.

What is the InChIKey of [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?

The InChIKey is SZSOTHZTGMAMEU-IKVXGVKESA-N. The full InChI is InChI=1S/C41H44O14/c1-21(42)51-40-32(23-10-13-25(44-3)14-11-23)53-34-26(15-18-29(46-5)38(34)49-8)36(40)55-37-27-16-19-30(47-6)39(50-9)35(27)54-33(41(37)52-22(2)43)24-12-17-28(45-4)31(20-24)48-7/h10-20,32-33,36-37,40-41H,1-9H3/t32-,33-,36+,37-,40+,41+/m1/s1.

What are the key properties of [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate?

[(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate has a molecular weight of 760.79 g/mol, XLogP of 6.68, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate is sourced from PubChem (CID 163011084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).