(8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

C27H48O3Si2 — CID 22806942

IUPAC(8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SMILESCC1=C2CC(=O)CC[C@]2(CO[Si](C)(C)C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O[Si](C)(C)C)[C@@H]2C1
InChIInChI=1S/C27H48O3Si2/c1-19-16-21-22-12-14-26(3,30-32(7,8)9)25(22,2)13-11-23(21)27(18-29-31(4,5)6)15-10-20(28)17-24(19)27/h21-23H,10-18H2,1-9H3/t21-,22-,23-,25-,26-,27-/m0/s1
InChIKeyVNYUTTRVONOGPV-BWLCZPDMSA-N
MW476.85 g/mol
LogP7.35
Rot. Bonds5

About (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

(8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one (PubChem CID 22806942) has the molecular formula C27H48O3Si2 and a molecular weight of 476.85 g/mol. Its IUPAC name is (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name(8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
PubChem CID22806942
Molecular FormulaC27H48O3Si2
Molecular Weight476.85 g/mol
Exact Mass476.31
IUPAC Name(8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SMILESCC1=C2CC(=O)CC[C@]2(CO[Si](C)(C)C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O[Si](C)(C)C)[C@@H]2C1
InChIInChI=1S/C27H48O3Si2/c1-19-16-21-22-12-14-26(3,30-32(7,8)9)25(22,2)13-11-23(21)27(18-29-31(4,5)6)15-10-20(28)17-24(19)27/h21-23H,10-18H2,1-9H3/t21-,22-,23-,25-,26-,27-/m0/s1
InChIKeyVNYUTTRVONOGPV-BWLCZPDMSA-N
XLogP7.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.85
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 70605412
CID 70605412
(1R,3aS,3bR,5aS,9aS,9bS,11aS)-1,9a,11a-trimethyl-1-trimethylsilyloxy-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one
CID 15706072
trimethyl-[[(17R)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 6429863
trimethyl-[[(3S,17S)-10,13,17-trimethyl-3,6-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 91752320
(8R,9R,10R,13S,14S)-13-methyl-10-(trimethylsilyloxymethyl)-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 70614740
(6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one
CID 6431267
(8S,9R,10S,13S,14S)-1,4,13,17-tetramethyl-3-oxo-17-triethylsilyloxy-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
CID 88800864
trimethyl-[[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-3-trimethylsilyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 22214247
(5R,8R,9R,10S,13S,14S,17S)-17-ethynyl-13-methyl-17-trimethylsilyloxy-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 91743752
(3S,8R,9S,10S,13S,14S)-3-hydroxy-10-(hydroxymethyl)-6,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 70614887
[(5S,8R,9R,10S,13S,14S,17S)-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 11875947
(10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
CID 540888

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The IUPAC name of (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one (CID 22806942) is (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
What is the SMILES notation for (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The canonical SMILES for (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one is CC1=C2CC(=O)CC[C@]2(CO[Si](C)(C)C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O[Si](C)(C)C)[C@@H]2C1.
What is the InChIKey of (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
The InChIKey is VNYUTTRVONOGPV-BWLCZPDMSA-N. The full InChI is InChI=1S/C27H48O3Si2/c1-19-16-21-22-12-14-26(3,30-32(7,8)9)25(22,2)13-11-23(21)27(18-29-31(4,5)6)15-10-20(28)17-24(19)27/h21-23H,10-18H2,1-9H3/t21-,22-,23-,25-,26-,27-/m0/s1.
What are the key properties of (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one?
(8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one has a molecular weight of 476.85 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10S,13S,14S,17S)-6,13,17-trimethyl-17-trimethylsilyloxy-10-(trimethylsilyloxymethyl)-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 22806942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).