(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde

C35H47N3O7 — CID 157271610

About (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde

(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde (PubChem CID 157271610) has the molecular formula C35H47N3O7 and a molecular weight of 621.78 g/mol. Its IUPAC name is (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde.

Molecular Properties

• Compound Name: (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde
• PubChem CID: 157271610
• Molecular Formula: C35H47N3O7
• Molecular Weight: 621.78 g/mol
• Exact Mass: 621.34
• IUPAC Name: (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde
• SMILES: COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3)[C@H](C=O)[C@@H]1C
• InChI: InChI=1S/C35H47N3O7/c1-22-29(21-39)38-20-31(22)45-33-27(36-26-13-12-24(42-3)18-28(26)37-33)10-6-4-5-8-23-9-7-11-30(23)44-32(40)19-25(34(38)41)35(2)14-16-43-17-15-35/h12-13,18,21-23,25,29-31H,4-11,14-17,19-20H2,1-3H3/t22-,23+,25+,29+,30+,31-/m0/s1
• InChIKey: QFWZTJBDHVCNFT-LIFLXHMJSA-N
• XLogP: 5.08
• TPSA: 117.15 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.78
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde?

The IUPAC name of (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde (CID 157271610) is (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde.

What is the SMILES notation for (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde?

The canonical SMILES for (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde is COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C2(C)CCOCC2)CC(=O)O[C@@H]2CCC[C@H]2CCCCC3)[C@H](C=O)[C@@H]1C.

What is the InChIKey of (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde?

The InChIKey is QFWZTJBDHVCNFT-LIFLXHMJSA-N. The full InChI is InChI=1S/C35H47N3O7/c1-22-29(21-39)38-20-31(22)45-33-27(36-26-13-12-24(42-3)18-28(26)37-33)10-6-4-5-8-23-9-7-11-30(23)44-32(40)19-25(34(38)41)35(2)14-16-43-17-15-35/h12-13,18,21-23,25,29-31H,4-11,14-17,19-20H2,1-3H3/t22-,23+,25+,29+,30+,31-/m0/s1.

What are the key properties of (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde?

(1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde has a molecular weight of 621.78 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,18R,22R,26S,29S,30S)-7-methoxy-30-methyl-26-(4-methyloxan-4-yl)-24,27-dioxo-2,23-dioxa-4,11,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11-pentaene-29-carbaldehyde is sourced from PubChem (CID 157271610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).