[(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate

C23H34O4 — CID 11574335

About [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate

[(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate (PubChem CID 11574335) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate.

Molecular Properties

• Compound Name: [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate
• PubChem CID: 11574335
• Molecular Formula: C23H34O4
• Molecular Weight: 374.52 g/mol
• Exact Mass: 374.25
• IUPAC Name: [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate
• SMILES: CC[C@H]1C[C@]2(C)[C@@H](OC(=O)OC)CC[C@H]2[C@H]2[C@H]1[C@H]1CCC(=O)C=C1C[C@H]2C
• InChI: InChI=1S/C23H34O4/c1-5-14-12-23(3)18(8-9-19(23)27-22(25)26-4)20-13(2)10-15-11-16(24)6-7-17(15)21(14)20/h11,13-14,17-21H,5-10,12H2,1-4H3/t13-,14+,17+,18+,19+,20+,21-,23+/m1/s1
• InChIKey: JMMHQOHWIOYMMS-BSRINAFQSA-N
• XLogP: 5.16
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.52
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate?

The IUPAC name of [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate (CID 11574335) is [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate.

What is the SMILES notation for [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate?

The canonical SMILES for [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate is CC[C@H]1C[C@]2(C)[C@@H](OC(=O)OC)CC[C@H]2[C@H]2[C@H]1[C@H]1CCC(=O)C=C1C[C@H]2C.

What is the InChIKey of [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate?

The InChIKey is JMMHQOHWIOYMMS-BSRINAFQSA-N. The full InChI is InChI=1S/C23H34O4/c1-5-14-12-23(3)18(8-9-19(23)27-22(25)26-4)20-13(2)10-15-11-16(24)6-7-17(15)21(14)20/h11,13-14,17-21H,5-10,12H2,1-4H3/t13-,14+,17+,18+,19+,20+,21-,23+/m1/s1.

What are the key properties of [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate?

[(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate has a molecular weight of 374.52 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R,8R,9S,10R,11S,13S,14S,17S)-11-ethyl-7,13-dimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate is sourced from PubChem (CID 11574335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).