methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate

C42H44O14 — CID 162971324

About methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate

methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate (PubChem CID 162971324) has the molecular formula C42H44O14 and a molecular weight of 772.80 g/mol. Its IUPAC name is methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate
• PubChem CID: 162971324
• Molecular Formula: C42H44O14
• Molecular Weight: 772.80 g/mol
• Exact Mass: 772.27
• IUPAC Name: methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate
• SMILES: COC(=O)c1c2c(c(OC)c([C@@H]3c4ccc(OC)cc4O[C@H](c4ccc(OC)cc4)[C@H]3OC(C)=O)c1OC)C[C@H](OC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2
• InChI: InChI=1S/C42H44O14/c1-21(43)53-32-20-28-38(50-7)34(40(51-8)35(42(45)52-9)39(28)56-36(32)24-12-17-29(48-5)31(18-24)49-6)33-27-16-15-26(47-4)19-30(27)55-37(41(33)54-22(2)44)23-10-13-25(46-3)14-11-23/h10-19,32-33,36-37,41H,20H2,1-9H3/t32-,33-,36-,37+,41-/m0/s1
• InChIKey: RVWFYRCWWHORIM-NGCZTHAWSA-N
• XLogP: 6.33
• TPSA: 152.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	772.80
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate?

The IUPAC name of methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate (CID 162971324) is methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate.

What is the SMILES notation for methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate?

The canonical SMILES for methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate is COC(=O)c1c2c(c(OC)c([C@@H]3c4ccc(OC)cc4O[C@H](c4ccc(OC)cc4)[C@H]3OC(C)=O)c1OC)C[C@H](OC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2.

What is the InChIKey of methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate?

The InChIKey is RVWFYRCWWHORIM-NGCZTHAWSA-N. The full InChI is InChI=1S/C42H44O14/c1-21(43)53-32-20-28-38(50-7)34(40(51-8)35(42(45)52-9)39(28)56-36(32)24-12-17-29(48-5)31(18-24)49-6)33-27-16-15-26(47-4)19-30(27)55-37(41(33)54-22(2)44)23-10-13-25(46-3)14-11-23/h10-19,32-33,36-37,41H,20H2,1-9H3/t32-,33-,36-,37+,41-/m0/s1.

What are the key properties of methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate?

methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate has a molecular weight of 772.80 g/mol, XLogP of 6.33, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromene-8-carboxylate is sourced from PubChem (CID 162971324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).