(2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate

C65H94N2O10 — CID 162061189

About (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate

(2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate (PubChem CID 162061189) has the molecular formula C65H94N2O10 and a molecular weight of 1063.47 g/mol. Its IUPAC name is (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate
• PubChem CID: 162061189
• Molecular Formula: C65H94N2O10
• Molecular Weight: 1063.47 g/mol
• Exact Mass: 1062.69
• IUPAC Name: (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate
• SMILES: COCO[C@H]1[C@H](C)C23CCC(=O)C2[C@@](C)([C@H](C)CC3)[C@H](O)C[C@@]1(C)C=Cc1ccccc1.COCO[C@H]1[C@H](C)C23CCC(=O)C2[C@@](C)([C@H](C)CC3)[C@H](OC(=O)NC(=O)[C@H]2CN(C)CC[C@@H]2C)C[C@@]1(C)C=Cc1ccccc1
• InChI: InChI=1S/C37H54N2O6.C28H40O4/c1-24-16-20-39(6)22-28(24)33(41)38-34(42)45-30-21-35(4,17-14-27-11-9-8-10-12-27)32(44-23-43-7)26(3)37-18-13-25(2)36(30,5)31(37)29(40)15-19-37;1-19-11-15-28-16-13-22(29)24(28)27(19,4)23(30)17-26(3,25(20(28)2)32-18-31-5)14-12-21-9-7-6-8-10-21/h8-12,14,17,24-26,28,30-32H,13,15-16,18-23H2,1-7H3,(H,38,41,42);6-10,12,14,19-20,23-25,30H,11,13,15-18H2,1-5H3/t24-,25+,26-,28-,30+,31?,32-,35+,36-,37?;19-,20+,23-,24?,25+,26-,27+,28?/m01/s1
• InChIKey: YZWCPDSZLJOHNH-GSHISYENSA-N
• XLogP: 11.84
• TPSA: 149.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.47
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate?

The IUPAC name of (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate (CID 162061189) is (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate.

What is the SMILES notation for (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate?

The canonical SMILES for (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate is COCO[C@H]1[C@H](C)C23CCC(=O)C2[C@@](C)([C@H](C)CC3)[C@H](O)C[C@@]1(C)C=Cc1ccccc1.COCO[C@H]1[C@H](C)C23CCC(=O)C2[C@@](C)([C@H](C)CC3)[C@H](OC(=O)NC(=O)[C@H]2CN(C)CC[C@@H]2C)C[C@@]1(C)C=Cc1ccccc1.

What is the InChIKey of (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate?

The InChIKey is YZWCPDSZLJOHNH-GSHISYENSA-N. The full InChI is InChI=1S/C37H54N2O6.C28H40O4/c1-24-16-20-39(6)22-28(24)33(41)38-34(42)45-30-21-35(4,17-14-27-11-9-8-10-12-27)32(44-23-43-7)26(3)37-18-13-25(2)36(30,5)31(37)29(40)15-19-37;1-19-11-15-28-16-13-22(29)24(28)27(19,4)23(30)17-26(3,25(20(28)2)32-18-31-5)14-12-21-9-7-6-8-10-21/h8-12,14,17,24-26,28,30-32H,13,15-16,18-23H2,1-7H3,(H,38,41,42);6-10,12,14,19-20,23-25,30H,11,13,15-18H2,1-5H3/t24-,25+,26-,28-,30+,31?,32-,35+,36-,37?;19-,20+,23-,24?,25+,26-,27+,28?/m01/s1.

What are the key properties of (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate?

(2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate has a molecular weight of 1063.47 g/mol, XLogP of 11.84, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,6R,7R,14R)-6-hydroxy-3-(methoxymethoxy)-2,4,7,14-tetramethyl-4-(2-phenylethenyl)tricyclo[5.4.3.01,8]tetradecan-9-one;[(2R,3S,4S,6R,7R,14R)-3-(methoxymethoxy)-2,4,7,14-tetramethyl-9-oxo-4-(2-phenylethenyl)-6-tricyclo[5.4.3.01,8]tetradecanyl] N-[(3R,4S)-1,4-dimethylpiperidine-3-carbonyl]carbamate is sourced from PubChem (CID 162061189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).