(Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine

C31H61NO4Si3 — CID 101281660

About (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine

(Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine (PubChem CID 101281660) has the molecular formula C31H61NO4Si3 and a molecular weight of 596.09 g/mol. Its IUPAC name is (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine.

Molecular Properties

• Compound Name: (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine
• PubChem CID: 101281660
• Molecular Formula: C31H61NO4Si3
• Molecular Weight: 596.09 g/mol
• Exact Mass: 595.39
• IUPAC Name: (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine
• SMILES: CO/N=C(/CO[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C
• InChI: InChI=1S/C31H61NO4Si3/c1-29-18-15-24(35-38(7,8)9)21-23(29)13-14-25-26(29)16-19-30(2)27(25)17-20-31(30,36-39(10,11)12)28(32-33-3)22-34-37(4,5)6/h23-27H,13-22H2,1-12H3/b32-28-/t23-,24-,25-,26+,27+,29+,30+,31+/m1/s1
• InChIKey: ZDGFYSBILJZZFV-WOQXDSERSA-N
• XLogP: 8.69
• TPSA: 49.28 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.09
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine?

The IUPAC name of (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine (CID 101281660) is (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine.

What is the SMILES notation for (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine?

The canonical SMILES for (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine is CO/N=C(/CO[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C.

What is the InChIKey of (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine?

The InChIKey is ZDGFYSBILJZZFV-WOQXDSERSA-N. The full InChI is InChI=1S/C31H61NO4Si3/c1-29-18-15-24(35-38(7,8)9)21-23(29)13-14-25-26(29)16-19-30(2)27(25)17-20-31(30,36-39(10,11)12)28(32-33-3)22-34-37(4,5)6/h23-27H,13-22H2,1-12H3/b32-28-/t23-,24-,25-,26+,27+,29+,30+,31+/m1/s1.

What are the key properties of (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine?

(Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine has a molecular weight of 596.09 g/mol, XLogP of 8.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3,17-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine is sourced from PubChem (CID 101281660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).