(6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

C26H46O4Si — CID 102023854

IUPAC(6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
SMILESCC(C)(C)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O[Si](C)(C)C)C4=CC(O)C(O)C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C26H46O4Si/c1-24(2,3)29-23-10-9-17-16-13-22(30-31(6,7)8)19-14-20(27)21(28)15-26(19,5)18(16)11-12-25(17,23)4/h14,16-18,20-23,27-28H,9-13,15H2,1-8H3/t16-,17-,18-,20?,21?,22+,23-,25-,26+/m0/s1
InChIKeyUKZOGDCBKCNUJR-XWDYLESDSA-N
MW450.74 g/mol
LogP5.29
Rot. Bonds3

About (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

(6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol (PubChem CID 102023854) has the molecular formula C26H46O4Si and a molecular weight of 450.74 g/mol. Its IUPAC name is (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol.

Molecular Properties

Compound Name(6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
PubChem CID102023854
Molecular FormulaC26H46O4Si
Molecular Weight450.74 g/mol
Exact Mass450.32
IUPAC Name(6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
SMILESCC(C)(C)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O[Si](C)(C)C)C4=CC(O)C(O)C[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C26H46O4Si/c1-24(2,3)29-23-10-9-17-16-13-22(30-31(6,7)8)19-14-20(27)21(28)15-26(19,5)18(16)11-12-25(17,23)4/h14,16-18,20-23,27-28H,9-13,15H2,1-8H3/t16-,17-,18-,20?,21?,22+,23-,25-,26+/m0/s1
InChIKeyUKZOGDCBKCNUJR-XWDYLESDSA-N
XLogP5.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.74
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol?
The IUPAC name of (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol (CID 102023854) is (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol.
What is the SMILES notation for (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol?
The canonical SMILES for (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol is CC(C)(C)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O[Si](C)(C)C)C4=CC(O)C(O)C[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol?
The InChIKey is UKZOGDCBKCNUJR-XWDYLESDSA-N. The full InChI is InChI=1S/C26H46O4Si/c1-24(2,3)29-23-10-9-17-16-13-22(30-31(6,7)8)19-14-20(27)21(28)15-26(19,5)18(16)11-12-25(17,23)4/h14,16-18,20-23,27-28H,9-13,15H2,1-8H3/t16-,17-,18-,20?,21?,22+,23-,25-,26+/m0/s1.
What are the key properties of (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol?
(6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol has a molecular weight of 450.74 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2-methylpropan-2-yl)oxy]-6-trimethylsilyloxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol is sourced from PubChem (CID 102023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).