(8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

C23H40O2Si — CID 67788143

About (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

(8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 67788143) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
• PubChem CID: 67788143
• Molecular Formula: C23H40O2Si
• Molecular Weight: 376.66 g/mol
• Exact Mass: 376.28
• IUPAC Name: (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
• SMILES: CC1(O)CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)C(O[Si](C)(C)C)CC[C@@H]32)C1
• InChI: InChI=1S/C23H40O2Si/c1-21(24)13-14-22(2)16(15-21)7-8-17-18-9-10-20(25-26(4,5)6)23(18,3)12-11-19(17)22/h7,17-20,24H,8-15H2,1-6H3/t17-,18-,19+,20?,21?,22-,23-/m0/s1
• InChIKey: CENDBTUSYWLFOW-LFIUMIKYSA-N
• XLogP: 5.92
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.66
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?

The IUPAC name of (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol (CID 67788143) is (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol.

What is the SMILES notation for (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?

The canonical SMILES for (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol is CC1(O)CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)C(O[Si](C)(C)C)CC[C@@H]32)C1.

What is the InChIKey of (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?

The InChIKey is CENDBTUSYWLFOW-LFIUMIKYSA-N. The full InChI is InChI=1S/C23H40O2Si/c1-21(24)13-14-22(2)16(15-21)7-8-17-18-9-10-20(25-26(4,5)6)23(18,3)12-11-19(17)22/h7,17-20,24H,8-15H2,1-6H3/t17-,18-,19+,20?,21?,22-,23-/m0/s1.

What are the key properties of (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol?

(8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 376.66 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,9R,10R,13S,14S)-3,10,13-trimethyl-17-trimethylsilyloxy-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 67788143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).