9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol

C52H50O12 — CID 102021987

About 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol

9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol (PubChem CID 102021987) has the molecular formula C52H50O12 and a molecular weight of 866.96 g/mol. Its IUPAC name is 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol.

Molecular Properties

• Compound Name: 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol
• PubChem CID: 102021987
• Molecular Formula: C52H50O12
• Molecular Weight: 866.96 g/mol
• Exact Mass: 866.33
• IUPAC Name: 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol
• SMILES: COc1cc2c3cc1OCCOc1cc4c(cc1OC)Cc1cc5c(OC)cc1Cc1cc(c(O)cc1C4)OCCOc1cc(c(cc1O)C3)Cc1cc(OC)c(cc1C2)OCCO5
• InChI: InChI=1S/C52H50O12/c1-55-45-21-33-13-31-19-43-41(53)17-29(31)11-37-25-49-47(57-3)23-35(37)15-39(33)27-51(45)63-9-10-64-52-28-40-16-36-24-48(58-4)50(62-8-7-61-49)26-38(36)12-30-18-42(54)44(60-6-5-59-43)20-32(30)14-34(40)22-46(52)56-2/h17-28,53-54H,5-16H2,1-4H3
• InChIKey: GFLDNNBYQSDAKO-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 132.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	866.96
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol?

The IUPAC name of 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol (CID 102021987) is 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol.

What is the SMILES notation for 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol?

The canonical SMILES for 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol is COc1cc2c3cc1OCCOc1cc4c(cc1OC)Cc1cc5c(OC)cc1Cc1cc(c(O)cc1C4)OCCOc1cc(c(cc1O)C3)Cc1cc(OC)c(cc1C2)OCCO5.

What is the InChIKey of 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol?

The InChIKey is GFLDNNBYQSDAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50O12/c1-55-45-21-33-13-31-19-43-41(53)17-29(31)11-37-25-49-47(57-3)23-35(37)15-39(33)27-51(45)63-9-10-64-52-28-40-16-36-24-48(58-4)50(62-8-7-61-49)26-38(36)12-30-18-42(54)44(60-6-5-59-43)20-32(30)14-34(40)22-46(52)56-2/h17-28,53-54H,5-16H2,1-4H3.

What are the key properties of 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol?

9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol has a molecular weight of 866.96 g/mol, XLogP of 8.30, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol is sourced from PubChem (CID 102021987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).