(10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol

C38H42N2O6 — CID 102153430

About (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol

(10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol (PubChem CID 102153430) has the molecular formula C38H42N2O6 and a molecular weight of 622.76 g/mol. Its IUPAC name is (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol.

Molecular Properties

• Compound Name: (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol
• PubChem CID: 102153430
• Molecular Formula: C38H42N2O6
• Molecular Weight: 622.76 g/mol
• Exact Mass: 622.30
• IUPAC Name: (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol
• SMILES: COc1cc2c3cc1Oc1cc(ccc1O)CC[C@@H]1c4cc(c(OC)cc4CCN1C)Oc1cc(ccc1O)CC[C@H]3N(C)CC2
• InChI: InChI=1S/C38H42N2O6/c1-39-15-13-25-19-35(43-3)37-21-27(25)29(39)9-5-23-7-11-31(41)33(17-23)46-38-22-28-26(20-36(38)44-4)14-16-40(2)30(28)10-6-24-8-12-32(42)34(18-24)45-37/h7-8,11-12,17-22,29-30,41-42H,5-6,9-10,13-16H2,1-4H3/t29-,30-/m1/s1
• InChIKey: XNSMRWFCBDZTJY-LOYHVIPDSA-N
• XLogP: 7.34
• TPSA: 83.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.76
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol?

The IUPAC name of (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol (CID 102153430) is (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol.

What is the SMILES notation for (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol?

The canonical SMILES for (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol is COc1cc2c3cc1Oc1cc(ccc1O)CC[C@@H]1c4cc(c(OC)cc4CCN1C)Oc1cc(ccc1O)CC[C@H]3N(C)CC2.

What is the InChIKey of (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol?

The InChIKey is XNSMRWFCBDZTJY-LOYHVIPDSA-N. The full InChI is InChI=1S/C38H42N2O6/c1-39-15-13-25-19-35(43-3)37-21-27(25)29(39)9-5-23-7-11-31(41)33(17-23)46-38-22-28-26(20-36(38)44-4)14-16-40(2)30(28)10-6-24-8-12-32(42)34(18-24)45-37/h7-8,11-12,17-22,29-30,41-42H,5-6,9-10,13-16H2,1-4H3/t29-,30-/m1/s1.

What are the key properties of (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol?

(10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol has a molecular weight of 622.76 g/mol, XLogP of 7.34, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R,26R)-32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol is sourced from PubChem (CID 102153430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).