[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate

C125H190O25 — CID 162202709

About [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate

[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate (PubChem CID 162202709) has the molecular formula C125H190O25 and a molecular weight of 2135.13 g/mol. Its IUPAC name is [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate.

Molecular Properties

• Compound Name: [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate
• PubChem CID: 162202709
• Molecular Formula: C125H190O25
• Molecular Weight: 2135.13 g/mol
• Exact Mass: 2133.62
• IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate
• SMILES: [2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]21.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)C([2H])([2H])C(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C)CC)C1.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])C1.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])C1.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(CC)(C([2H])([2H])[2H])C([2H])([2H])[2H])C1
• InChI: InChI=1S/5C25H38O5/c5*1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h5*7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t5*15-,16-,18+,19?,20-,21-,23-/m00000/s1/i1D3,2D3,4D3,5D3,6D2;1D3,2D3,4D3,6D2;2D3,4D3,5D3;2D3,14D2;4D3/tm;15-,16-,18+,19?,20-,21-,23-,25?;2m;15-,16-,18+,19?,20-,21-,23-,25?
• InChIKey: ZRUJNFBLDVQHPL-DVKMFANISA-N
• XLogP: 22.93
• TPSA: 364.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 42
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.13
LogP ≤ 5	22.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate?

The IUPAC name of [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate (CID 162202709) is [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate.

What is the SMILES notation for [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate?

The canonical SMILES for [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate is [2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]21.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)C([2H])([2H])C(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C)CC)C1.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])C1.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(C)(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H])C1.[2H]C([2H])([2H])[C@H]1C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C(CC)(C([2H])([2H])[2H])C([2H])([2H])[2H])C1.

What is the InChIKey of [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate?

The InChIKey is ZRUJNFBLDVQHPL-DVKMFANISA-N. The full InChI is InChI=1S/5C25H38O5/c5*1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h5*7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t5*15-,16-,18+,19?,20-,21-,23-/m00000/s1/i1D3,2D3,4D3,5D3,6D2;1D3,2D3,4D3,6D2;2D3,4D3,5D3;2D3,14D2;4D3/tm;15-,16-,18+,19?,20-,21-,23-,25?;2m;15-,16-,18+,19?,20-,21-,23-,25?.

What are the key properties of [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate?

[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate has a molecular weight of 2135.13 g/mol, XLogP of 22.93, 42 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R,7S,8S,8aR)-8-[2-[(4R)-5,5-dideuterio-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate;[(1S,3R,7S,8S,8aR)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-(trideuteriomethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,4,4,4-pentadeuterio-2-methyl-2-(trideuteriomethyl)butanoate is sourced from PubChem (CID 162202709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).