(1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione

C37H63NO15 — CID 177443270

About (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione

(1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione (PubChem CID 177443270) has the molecular formula C37H63NO15 and a molecular weight of 761.90 g/mol. Its IUPAC name is (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione.

Molecular Properties

• Compound Name: (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione
• PubChem CID: 177443270
• Molecular Formula: C37H63NO15
• Molecular Weight: 761.90 g/mol
• Exact Mass: 761.42
• IUPAC Name: (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione
• SMILES: CCC1OC(=O)C[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)OC(=O)[C@@H](C)[C@H]2OC(=O)O[C@]12C
• InChI: InChI=1S/C37H63NO15/c1-13-25-37(9)31(52-34(43)53-37)21(5)32(42)46-19(3)16-35(7,44)30(51-33-28(40)23(38(10)11)14-18(2)47-33)20(4)24(15-26(39)50-25)49-27-17-36(8,45-12)29(41)22(6)48-27/h18-25,27-31,33,40-41,44H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23+,24+,25?,27+,28-,29+,30-,31-,33+,35+,36-,37-/m1/s1
• InChIKey: OFYFONUWAJPSOX-NAPYVWDPSA-N
• XLogP: 2.45
• TPSA: 198.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.90
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione?

The IUPAC name of (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione (CID 177443270) is (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione.

What is the SMILES notation for (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione?

The canonical SMILES for (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione is CCC1OC(=O)C[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)OC(=O)[C@@H](C)[C@H]2OC(=O)O[C@]12C.

What is the InChIKey of (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione?

The InChIKey is OFYFONUWAJPSOX-NAPYVWDPSA-N. The full InChI is InChI=1S/C37H63NO15/c1-13-25-37(9)31(52-34(43)53-37)21(5)32(42)46-19(3)16-35(7,44)30(51-33-28(40)23(38(10)11)14-18(2)47-33)20(4)24(15-26(39)50-25)49-27-17-36(8,45-12)29(41)22(6)48-27/h18-25,27-31,33,40-41,44H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23+,24+,25?,27+,28-,29+,30-,31-,33+,35+,36-,37-/m1/s1.

What are the key properties of (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione?

(1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione has a molecular weight of 761.90 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,6S,7S,8R,9S,11R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,14-pentamethyl-3,12,16,18-tetraoxabicyclo[13.3.0]octadecane-4,13,17-trione is sourced from PubChem (CID 177443270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).