(3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione

C43H69NO10 — CID 170543832

About (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione

(3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione (PubChem CID 170543832) has the molecular formula C43H69NO10 and a molecular weight of 760.02 g/mol. Its IUPAC name is (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione.

Molecular Properties

• Compound Name: (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione
• PubChem CID: 170543832
• Molecular Formula: C43H69NO10
• Molecular Weight: 760.02 g/mol
• Exact Mass: 759.49
• IUPAC Name: (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione
• SMILES: CC[C@@H]1CCCC(O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)C[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](OC5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3C2CC(=O)O1
• InChI: InChI=1S/C43H69NO10/c1-11-27-13-12-14-28(53-38-16-15-36(44(6)7)25(4)50-38)17-24(3)39(46)35-21-33-31(34(35)22-37(45)52-27)18-23(2)30-19-29(20-32(30)33)54-43-42(49-10)41(48-9)40(47-8)26(5)51-43/h18,21,24-34,36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27-,28?,29-,30+,31-,32-,33-,34?,36+,38+,40+,41-,42-,43?/m1/s1
• InChIKey: UPJGOPXGWQRYQG-IXWOCGKTSA-N
• XLogP: 6.27
• TPSA: 111.22 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	760.02
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione?

The IUPAC name of (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione (CID 170543832) is (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione.

What is the SMILES notation for (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione?

The canonical SMILES for (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione is CC[C@@H]1CCCC(O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)C[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](OC5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3C2CC(=O)O1.

What is the InChIKey of (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione?

The InChIKey is UPJGOPXGWQRYQG-IXWOCGKTSA-N. The full InChI is InChI=1S/C43H69NO10/c1-11-27-13-12-14-28(53-38-16-15-36(44(6)7)25(4)50-38)17-24(3)39(46)35-21-33-31(34(35)22-37(45)52-27)18-23(2)30-19-29(20-32(30)33)54-43-42(49-10)41(48-9)40(47-8)26(5)51-43/h18,21,24-34,36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27-,28?,29-,30+,31-,32-,33-,34?,36+,38+,40+,41-,42-,43?/m1/s1.

What are the key properties of (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione?

(3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione has a molecular weight of 760.02 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,9R,14S,17R,19S,21S,22S)-5-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-3,16-dimethyl-19-[(3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10-oxatetracyclo[11.10.0.014,22.017,21]tricosa-1(23),15-diene-2,11-dione is sourced from PubChem (CID 170543832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).