(3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol

C33H58O2Si — CID 139263509

IUPAC(3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol
SMILESCC(C)CCC[C@@H](C)C1=CC(O)C2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C33H58O2Si/c1-22(2)12-11-13-23(3)28-21-29(34)30-26-15-14-24-20-25(35-36(9,10)31(4,5)6)16-18-32(24,7)27(26)17-19-33(28,30)8/h14,21-23,25-27,29-30,34H,11-13,15-20H2,1-10H3/t23-,25+,26-,27+,29?,30?,32+,33-/m1/s1
InChIKeyMOWBPKVREYEADI-IDPBXWCXSA-N
MW514.91 g/mol
LogP9.31
Rot. Bonds7

About (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol

(3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol (PubChem CID 139263509) has the molecular formula C33H58O2Si and a molecular weight of 514.91 g/mol. Its IUPAC name is (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol.

Molecular Properties

Compound Name(3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol
PubChem CID139263509
Molecular FormulaC33H58O2Si
Molecular Weight514.91 g/mol
Exact Mass514.42
IUPAC Name(3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol
SMILESCC(C)CCC[C@@H](C)C1=CC(O)C2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C33H58O2Si/c1-22(2)12-11-13-23(3)28-21-29(34)30-26-15-14-24-20-25(35-36(9,10)31(4,5)6)16-18-32(24,7)27(26)17-19-33(28,30)8/h14,21-23,25-27,29-30,34H,11-13,15-20H2,1-10H3/t23-,25+,26-,27+,29?,30?,32+,33-/m1/s1
InChIKeyMOWBPKVREYEADI-IDPBXWCXSA-N
XLogP9.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.91
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-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 (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol?
The IUPAC name of (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol (CID 139263509) is (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol.
What is the SMILES notation for (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol?
The canonical SMILES for (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol is CC(C)CCC[C@@H](C)C1=CC(O)C2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol?
The InChIKey is MOWBPKVREYEADI-IDPBXWCXSA-N. The full InChI is InChI=1S/C33H58O2Si/c1-22(2)12-11-13-23(3)28-21-29(34)30-26-15-14-24-20-25(35-36(9,10)31(4,5)6)16-18-32(24,7)27(26)17-19-33(28,30)8/h14,21-23,25-27,29-30,34H,11-13,15-20H2,1-10H3/t23-,25+,26-,27+,29?,30?,32+,33-/m1/s1.
What are the key properties of (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol?
(3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol has a molecular weight of 514.91 g/mol, XLogP of 9.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8R,9S,10R,13S,15R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-15-ol is sourced from PubChem (CID 139263509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).