5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol

C55H56O17 — CID 162952087

About 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol

5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol (PubChem CID 162952087) has the molecular formula C55H56O17 and a molecular weight of 989.04 g/mol. Its IUPAC name is 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol.

Molecular Properties

• Compound Name: 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol
• PubChem CID: 162952087
• Molecular Formula: C55H56O17
• Molecular Weight: 989.04 g/mol
• Exact Mass: 988.35
• IUPAC Name: 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol
• SMILES: COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2OC1c2c(OC)cc3c(c2OC(c2ccc(OC)c(OC)c2)C1O)C1c2c(cc(OC)cc2OC(c2ccc(OC)c(OC)c2)C1O)O3
• InChI: InChI=1S/C55H56O17/c1-58-29-20-38(66-9)45-40(21-29)68-34(26-11-14-31(60-3)35(17-26)63-6)24-43(45)71-55-48-39(67-10)25-44-47(54(48)72-53(51(55)57)28-13-16-33(62-5)37(19-28)65-8)49-46-41(69-44)22-30(59-2)23-42(46)70-52(50(49)56)27-12-15-32(61-4)36(18-27)64-7/h11-23,25,34,43,49-53,55-57H,24H2,1-10H3
• InChIKey: BPWXIQGSVLLBNZ-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 178.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.04
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol?

The IUPAC name of 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol (CID 162952087) is 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol.

What is the SMILES notation for 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol?

The canonical SMILES for 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol is COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)CC2OC1c2c(OC)cc3c(c2OC(c2ccc(OC)c(OC)c2)C1O)C1c2c(cc(OC)cc2OC(c2ccc(OC)c(OC)c2)C1O)O3.

What is the InChIKey of 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol?

The InChIKey is BPWXIQGSVLLBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56O17/c1-58-29-20-38(66-9)45-40(21-29)68-34(26-11-14-31(60-3)35(17-26)63-6)24-43(45)71-55-48-39(67-10)25-44-47(54(48)72-53(51(55)57)28-13-16-33(62-5)37(19-28)65-8)49-46-41(69-44)22-30(59-2)23-42(46)70-52(50(49)56)27-12-15-32(61-4)36(18-27)64-7/h11-23,25,34,43,49-53,55-57H,24H2,1-10H3.

What are the key properties of 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol?

5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol has a molecular weight of 989.04 g/mol, XLogP of 9.32, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5,19-bis(3,4-dimethoxyphenyl)-7-[[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-9,15-dimethoxy-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-2,8,10,13(21),14,16-hexaene-6,20-diol is sourced from PubChem (CID 162952087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).