(Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine

C34H67NO5Si4 — CID 20845434

About (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine

(Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine (PubChem CID 20845434) has the molecular formula C34H67NO5Si4 and a molecular weight of 682.26 g/mol. Its IUPAC name is (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine.

Molecular Properties

• Compound Name: (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine
• PubChem CID: 20845434
• Molecular Formula: C34H67NO5Si4
• Molecular Weight: 682.26 g/mol
• Exact Mass: 681.41
• IUPAC Name: (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine
• SMILES: CO/N=C1\C=C2CC[C@@H]3[C@H]([C@@H](O[Si](C)(C)C)C[C@@]4(C)[C@H]3CC[C@]4(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]2(C)CC1
• InChI: InChI=1S/C34H67NO5Si4/c1-32-20-18-26(35-36-3)22-25(32)16-17-27-28-19-21-34(40-44(13,14)15,30(39-43(10,11)12)24-37-41(4,5)6)33(28,2)23-29(31(27)32)38-42(7,8)9/h22,27-31H,16-21,23-24H2,1-15H3/b35-26-/t27-,28-,29-,30+,31+,32-,33-,34-/m0/s1
• InChIKey: PXOKPPIJGPHDHH-ABCSRCMTSA-N
• XLogP: 9.44
• TPSA: 58.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.26
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine?

The IUPAC name of (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine (CID 20845434) is (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine.

What is the SMILES notation for (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine?

The canonical SMILES for (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine is CO/N=C1\C=C2CC[C@@H]3[C@H]([C@@H](O[Si](C)(C)C)C[C@@]4(C)[C@H]3CC[C@]4(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]2(C)CC1.

What is the InChIKey of (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine?

The InChIKey is PXOKPPIJGPHDHH-ABCSRCMTSA-N. The full InChI is InChI=1S/C34H67NO5Si4/c1-32-20-18-26(35-36-3)22-25(32)16-17-27-28-19-21-34(40-44(13,14)15,30(39-43(10,11)12)24-37-41(4,5)6)33(28,2)23-29(31(27)32)38-42(7,8)9/h22,27-31H,16-21,23-24H2,1-15H3/b35-26-/t27-,28-,29-,30+,31+,32-,33-,34-/m0/s1.

What are the key properties of (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine?

(Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine has a molecular weight of 682.26 g/mol, XLogP of 9.44, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine is sourced from PubChem (CID 20845434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).