(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione

C32H57NO8 — CID 59982893

About (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione

(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione (PubChem CID 59982893) has the molecular formula C32H57NO8 and a molecular weight of 583.81 g/mol. Its IUPAC name is (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione.

Molecular Properties

• Compound Name: (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione
• PubChem CID: 59982893
• Molecular Formula: C32H57NO8
• Molecular Weight: 583.81 g/mol
• Exact Mass: 583.41
• IUPAC Name: (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione
• SMILES: CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](C)[C@]1(C)O
• InChI: InChI=1S/C32H57NO8/c1-14-25-32(10,37)23(8)19(4)26(34)17(2)16-31(9,38-13)28(21(6)27(35)22(7)29(36)40-25)41-30-20(5)24(33(11)12)15-18(3)39-30/h17-25,28,30,37H,14-16H2,1-13H3/t17-,18?,19-,20?,21+,22-,23-,24?,25-,28-,30?,31-,32+/m1/s1
• InChIKey: JHOILSXYEAIOSR-RTZNOFQZSA-N
• XLogP: 4.27
• TPSA: 111.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.81
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione?

The IUPAC name of (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione (CID 59982893) is (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione.

What is the SMILES notation for (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione?

The canonical SMILES for (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione is CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2C)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](C)[C@]1(C)O.

What is the InChIKey of (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione?

The InChIKey is JHOILSXYEAIOSR-RTZNOFQZSA-N. The full InChI is InChI=1S/C32H57NO8/c1-14-25-32(10,37)23(8)19(4)26(34)17(2)16-31(9,38-13)28(21(6)27(35)22(7)29(36)40-25)41-30-20(5)24(33(11)12)15-18(3)39-30/h17-25,28,30,37H,14-16H2,1-13H3/t17-,18?,19-,20?,21+,22-,23-,24?,25-,28-,30?,31-,32+/m1/s1.

What are the key properties of (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione?

(3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione has a molecular weight of 583.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R,6R,7R,9R,11R,12R,13S,14R)-6-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,12,13-heptamethyl-oxacyclotetradecane-2,4,10-trione is sourced from PubChem (CID 59982893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).