(8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

C29H48O3Si2 — CID 10839131

IUPAC(8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
SMILESCC/C(O[Si](C)(C)C)=C1\[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C)C[C@]12C
InChIInChI=1S/C29H48O3Si2/c1-11-24(31-33(5,6)7)26-19(2)16-23-22-13-12-20-17-21(30)14-15-28(20,3)27(22)25(18-29(23,26)4)32-34(8,9)10/h14-15,17,19,22-23,25,27H,11-13,16,18H2,1-10H3/b26-24-/t19-,22+,23+,25+,27-,28+,29+/m1/s1
InChIKeyNVPVJELYIHWHGO-WUCLWCPYSA-N
MW500.87 g/mol
LogP7.89
Rot. Bonds5

About (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

(8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one (PubChem CID 10839131) has the molecular formula C29H48O3Si2 and a molecular weight of 500.87 g/mol. Its IUPAC name is (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name(8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
PubChem CID10839131
Molecular FormulaC29H48O3Si2
Molecular Weight500.87 g/mol
Exact Mass500.31
IUPAC Name(8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
SMILESCC/C(O[Si](C)(C)C)=C1\[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C)C[C@]12C
InChIInChI=1S/C29H48O3Si2/c1-11-24(31-33(5,6)7)26-19(2)16-23-22-13-12-20-17-21(30)14-15-28(20,3)27(22)25(18-29(23,26)4)32-34(8,9)10/h14-15,17,19,22-23,25,27H,11-13,16,18H2,1-10H3/b26-24-/t19-,22+,23+,25+,27-,28+,29+/m1/s1
InChIKeyNVPVJELYIHWHGO-WUCLWCPYSA-N
XLogP7.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.87
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?
The IUPAC name of (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one (CID 10839131) is (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
What is the SMILES notation for (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?
The canonical SMILES for (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one is CC/C(O[Si](C)(C)C)=C1\[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C)C[C@]12C.
What is the InChIKey of (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?
The InChIKey is NVPVJELYIHWHGO-WUCLWCPYSA-N. The full InChI is InChI=1S/C29H48O3Si2/c1-11-24(31-33(5,6)7)26-19(2)16-23-22-13-12-20-17-21(30)14-15-28(20,3)27(22)25(18-29(23,26)4)32-34(8,9)10/h14-15,17,19,22-23,25,27H,11-13,16,18H2,1-10H3/b26-24-/t19-,22+,23+,25+,27-,28+,29+/m1/s1.
What are the key properties of (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one?
(8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one has a molecular weight of 500.87 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10R,11S,13S,14S,16R,17Z)-10,13,16-trimethyl-11-trimethylsilyloxy-17-(1-trimethylsilyloxypropylidene)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 10839131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).