(7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

C29H48O4Si — CID 10814877

IUPAC(7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3[C@H](CCCOCCO)Cc4cc(O)ccc4[C@H]3CC[C@]12C
InChIInChI=1S/C29H48O4Si/c1-28(2,3)34(5,6)33-26-12-11-25-27-20(8-7-16-32-17-15-30)18-21-19-22(31)9-10-23(21)24(27)13-14-29(25,26)4/h9-10,19-20,24-27,30-31H,7-8,11-18H2,1-6H3/t20-,24-,25+,26+,27-,29+/m1/s1
InChIKeyUTNPZPUUDLKJDV-XJDQCCKNSA-N
MW488.79 g/mol
LogP6.65
Rot. Bonds8

About (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

(7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 10814877) has the molecular formula C29H48O4Si and a molecular weight of 488.79 g/mol. Its IUPAC name is (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
PubChem CID10814877
Molecular FormulaC29H48O4Si
Molecular Weight488.79 g/mol
Exact Mass488.33
IUPAC Name(7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3[C@H](CCCOCCO)Cc4cc(O)ccc4[C@H]3CC[C@]12C
InChIInChI=1S/C29H48O4Si/c1-28(2,3)34(5,6)33-26-12-11-25-27-20(8-7-16-32-17-15-30)18-21-19-22(31)9-10-23(21)24(27)13-14-29(25,26)4/h9-10,19-20,24-27,30-31H,7-8,11-18H2,1-6H3/t20-,24-,25+,26+,27-,29+/m1/s1
InChIKeyUTNPZPUUDLKJDV-XJDQCCKNSA-N
XLogP6.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.79
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol?
The IUPAC name of (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol (CID 10814877) is (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3[C@H](CCCOCCO)Cc4cc(O)ccc4[C@H]3CC[C@]12C.
What is the InChIKey of (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol?
The InChIKey is UTNPZPUUDLKJDV-XJDQCCKNSA-N. The full InChI is InChI=1S/C29H48O4Si/c1-28(2,3)34(5,6)33-26-12-11-25-27-20(8-7-16-32-17-15-30)18-21-19-22(31)9-10-23(21)24(27)13-14-29(25,26)4/h9-10,19-20,24-27,30-31H,7-8,11-18H2,1-6H3/t20-,24-,25+,26+,27-,29+/m1/s1.
What are the key properties of (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol?
(7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 488.79 g/mol, XLogP of 6.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R,9S,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[3-(2-hydroxyethoxy)propyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 10814877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).