(6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide

C81H126Cl3NO19 — CID 158101310

About (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide

(6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide (PubChem CID 158101310) has the molecular formula C81H126Cl3NO19 and a molecular weight of 1524.25 g/mol. Its IUPAC name is (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide.

Molecular Properties

• Compound Name: (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide
• PubChem CID: 158101310
• Molecular Formula: C81H126Cl3NO19
• Molecular Weight: 1524.25 g/mol
• Exact Mass: 1521.80
• IUPAC Name: (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide
• SMILES: CC1[C@H](OC2[C@H](O[C@@H]3C(C)[C@H](O[C@@H]4C(C)[C@H](C)OC5COC(c6ccccc6)O[C@H]54)OC(C)[C@@H]3C)OC(C)[C@H](C)[C@@H]2C)OC(C)[C@H](C)[C@@H]1C.CC1[C@H](OC2[C@H](O[C@@H]3C(C)[C@H](O[C@@H]4C(NC(=O)C(Cl)(Cl)Cl)[C@H](C)OC5COC(c6ccccc6)O[C@H]54)OC(C)[C@@H]3C)OC(C)[C@H](C)[C@@H]2C)OC(C)[C@H](C)[C@@H]1C
• InChI: InChI=1S/C41H62Cl3NO10.C40H64O9/c1-18-19(2)25(8)49-36(22(18)5)53-33-21(4)20(3)26(9)51-39(33)52-32-23(6)27(10)50-37(24(32)7)55-35-31(45-40(46)41(42,43)44)28(11)48-30-17-47-38(54-34(30)35)29-15-13-12-14-16-29;1-19-20(2)27(9)43-37(23(19)5)48-35-22(4)21(3)28(10)45-40(35)46-33-24(6)30(12)44-38(26(33)8)47-34-25(7)29(11)42-32-18-41-39(49-36(32)34)31-16-14-13-15-17-31/h12-16,18-28,30-39H,17H2,1-11H3,(H,45,46);13-17,19-30,32-40H,18H2,1-12H3/t18-,19+,20+,21-,22?,23-,24?,25?,26?,27?,28-,30?,31?,32-,33?,34+,35+,36-,37-,38?,39-;19-,20+,21+,22-,23?,24-,25?,26?,27?,28?,29-,30?,32?,33-,34+,35?,36+,37-,38-,39?,40-/m00/s1
• InChIKey: FPHFSCIISHZWSA-IPNZGDIRSA-N
• XLogP: 14.95
• TPSA: 195.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.25
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide?

The IUPAC name of (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide (CID 158101310) is (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide.

What is the SMILES notation for (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide?

The canonical SMILES for (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide is CC1[C@H](OC2[C@H](O[C@@H]3C(C)[C@H](O[C@@H]4C(C)[C@H](C)OC5COC(c6ccccc6)O[C@H]54)OC(C)[C@@H]3C)OC(C)[C@H](C)[C@@H]2C)OC(C)[C@H](C)[C@@H]1C.CC1[C@H](OC2[C@H](O[C@@H]3C(C)[C@H](O[C@@H]4C(NC(=O)C(Cl)(Cl)Cl)[C@H](C)OC5COC(c6ccccc6)O[C@H]54)OC(C)[C@@H]3C)OC(C)[C@H](C)[C@@H]2C)OC(C)[C@H](C)[C@@H]1C.

What is the InChIKey of (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide?

The InChIKey is FPHFSCIISHZWSA-IPNZGDIRSA-N. The full InChI is InChI=1S/C41H62Cl3NO10.C40H64O9/c1-18-19(2)25(8)49-36(22(18)5)53-33-21(4)20(3)26(9)51-39(33)52-32-23(6)27(10)50-37(24(32)7)55-35-31(45-40(46)41(42,43)44)28(11)48-30-17-47-38(54-34(30)35)29-15-13-12-14-16-29;1-19-20(2)27(9)43-37(23(19)5)48-35-22(4)21(3)28(10)45-40(35)46-33-24(6)30(12)44-38(26(33)8)47-34-25(7)29(11)42-32-18-41-39(49-36(32)34)31-16-14-13-15-17-31/h12-16,18-28,30-39H,17H2,1-11H3,(H,45,46);13-17,19-30,32-40H,18H2,1-12H3/t18-,19+,20+,21-,22?,23-,24?,25?,26?,27?,28-,30?,31?,32-,33?,34+,35+,36-,37-,38?,39-;19-,20+,21+,22-,23?,24-,25?,26?,27?,28?,29-,30?,32?,33-,34+,35?,36+,37-,38-,39?,40-/m00/s1.

What are the key properties of (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide?

(6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide has a molecular weight of 1524.25 g/mol, XLogP of 14.95, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,8R,8aS)-6,7-dimethyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;N-[(6S,8R,8aS)-6-methyl-2-phenyl-8-[(2S,4S,5S)-3,5,6-trimethyl-4-[(2S,4S,5R)-4,5,6-trimethyl-3-[(2S,4S,5R)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide is sourced from PubChem (CID 158101310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).