(8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol

C35H34N2O5 — CID 163067077

About (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol

(8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol (PubChem CID 163067077) has the molecular formula C35H34N2O5 and a molecular weight of 562.67 g/mol. Its IUPAC name is (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol.

Molecular Properties

• Compound Name: (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol
• PubChem CID: 163067077
• Molecular Formula: C35H34N2O5
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.25
• IUPAC Name: (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol
• SMILES: COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1cccc(O)c1Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC5
• InChI: InChI=1S/C35H34N2O5/c1-36-13-11-21-17-29-30-19-25(21)26(36)16-23-5-4-6-28(38)33(23)40-24-9-7-20(8-10-24)15-27-32-22(12-14-37(27)2)18-31(39-3)34(41-29)35(32)42-30/h4-10,17-19,26-27,38H,11-16H2,1-3H3/t26-,27-/m1/s1
• InChIKey: GUSPPSPFAQQGCG-KAYWLYCHSA-N
• XLogP: 6.95
• TPSA: 63.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol?

The IUPAC name of (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol (CID 163067077) is (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol.

What is the SMILES notation for (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol?

The canonical SMILES for (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol is COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1cccc(O)c1Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC5.

What is the InChIKey of (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol?

The InChIKey is GUSPPSPFAQQGCG-KAYWLYCHSA-N. The full InChI is InChI=1S/C35H34N2O5/c1-36-13-11-21-17-29-30-19-25(21)26(36)16-23-5-4-6-28(38)33(23)40-24-9-7-20(8-10-24)15-27-32-22(12-14-37(27)2)18-31(39-3)34(41-29)35(32)42-30/h4-10,17-19,26-27,38H,11-16H2,1-3H3/t26-,27-/m1/s1.

What are the key properties of (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol?

(8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol has a molecular weight of 562.67 g/mol, XLogP of 6.95, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,22R)-28-methoxy-7,23-dimethyl-16,30,32-trioxa-7,23-diazaoctacyclo[20.9.3.217,20.14,31.03,8.010,15.026,34.029,33]heptatriaconta-1(31),2,4(35),10(15),11,13,17(37),18,20(36),26,28,33-dodecaen-14-ol is sourced from PubChem (CID 163067077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).