(1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol

C45H34O15 — CID 152771879

About (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol

(1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol (PubChem CID 152771879) has the molecular formula C45H34O15 and a molecular weight of 814.75 g/mol. Its IUPAC name is (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol.

Molecular Properties

• Compound Name: (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol
• PubChem CID: 152771879
• Molecular Formula: C45H34O15
• Molecular Weight: 814.75 g/mol
• Exact Mass: 814.19
• IUPAC Name: (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol
• SMILES: Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc6c(c5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O6)[C@@H]3O)C[C@@H]2O)cc1
• InChI: InChI=1S/C45H34O15/c46-21-7-1-18(2-8-21)39-29(53)15-25-26(50)16-31-35(40(25)56-39)38-34-28(52)17-32-36(41(34)60-45(59-31,43(38)55)20-5-11-23(48)12-6-20)37-33-27(51)13-24(49)14-30(33)57-44(58-32,42(37)54)19-3-9-22(47)10-4-19/h1-14,16-17,29,37-39,42-43,46-55H,15H2/t29-,37+,38+,39+,42+,43-,44-,45+/m0/s1
• InChIKey: MMBACJOZVSORQJ-KTJIKPCYSA-N
• XLogP: 4.92
• TPSA: 248.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	814.75
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol?

The IUPAC name of (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol (CID 152771879) is (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol.

What is the SMILES notation for (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol?

The canonical SMILES for (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol is Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@H]3c5c(O)cc6c(c5O[C@@](c5ccc(O)cc5)(O4)[C@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O6)[C@@H]3O)C[C@@H]2O)cc1.

What is the InChIKey of (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol?

The InChIKey is MMBACJOZVSORQJ-KTJIKPCYSA-N. The full InChI is InChI=1S/C45H34O15/c46-21-7-1-18(2-8-21)39-29(53)15-25-26(50)16-31-35(40(25)56-39)38-34-28(52)17-32-36(41(34)60-45(59-31,43(38)55)20-5-11-23(48)12-6-20)37-33-27(51)13-24(49)14-30(33)57-44(58-32,42(37)54)19-3-9-22(47)10-4-19/h1-14,16-17,29,37-39,42-43,46-55H,15H2/t29-,37+,38+,39+,42+,43-,44-,45+/m0/s1.

What are the key properties of (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol?

(1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol has a molecular weight of 814.75 g/mol, XLogP of 4.92, 3 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,7S,15R,19R,26S,27R,31S,32R)-7,19,27-tris(4-hydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol is sourced from PubChem (CID 152771879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).