[6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

C67H114O23 — CID 163045007

About [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

[6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (PubChem CID 163045007) has the molecular formula C67H114O23 and a molecular weight of 1287.63 g/mol. Its IUPAC name is [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.

Molecular Properties

• Compound Name: [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• PubChem CID: 163045007
• Molecular Formula: C67H114O23
• Molecular Weight: 1287.63 g/mol
• Exact Mass: 1286.78
• IUPAC Name: [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• SMILES: COCC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(OC)C(OC)C(C)(COC)C6CCC5(C)C3(C)CC4)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC1OC(C)C(OC)C(OC2OCC(OC)C(OC)C2OC)C1OC
• InChI: InChI=1S/C67H114O23/c1-36-45(73-12)51(89-58-52(78-17)46(74-13)40(72-11)33-83-58)55(81-20)59(85-36)88-48-41(32-69-8)86-57(53(79-18)50(48)77-16)84-34-42-47(75-14)49(76-15)54(80-19)60(87-42)90-61(68)67-28-26-62(2,3)30-38(67)37-22-23-44-63(4)31-39(71-10)56(82-21)64(5,35-70-9)43(63)24-25-66(44,7)65(37,6)27-29-67/h22,36,38-60H,23-35H2,1-21H3
• InChIKey: UQJJAJSEJQVSPZ-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 220.13 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.63
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?

The IUPAC name of [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (CID 163045007) is [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.

What is the SMILES notation for [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?

The canonical SMILES for [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is COCC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(OC)C(OC)C(C)(COC)C6CCC5(C)C3(C)CC4)C(OC)C(OC)C2OC)C(OC)C(OC)C1OC1OC(C)C(OC)C(OC2OCC(OC)C(OC)C2OC)C1OC.

What is the InChIKey of [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?

The InChIKey is UQJJAJSEJQVSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H114O23/c1-36-45(73-12)51(89-58-52(78-17)46(74-13)40(72-11)33-83-58)55(81-20)59(85-36)88-48-41(32-69-8)86-57(53(79-18)50(48)77-16)84-34-42-47(75-14)49(76-15)54(80-19)60(87-42)90-61(68)67-28-26-62(2,3)30-38(67)37-22-23-44-63(4)31-39(71-10)56(82-21)64(5,35-70-9)43(63)24-25-66(44,7)65(37,6)27-29-67/h22,36,38-60H,23-35H2,1-21H3.

What are the key properties of [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate?

[6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate has a molecular weight of 1287.63 g/mol, XLogP of 6.73, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[5-[3,5-dimethoxy-6-methyl-4-(3,4,5-trimethoxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl] 10,11-dimethoxy-9-(methoxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is sourced from PubChem (CID 163045007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).