17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol

C27H48O6 — CID 162967991

IUPAC17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol
SMILESCC(CCCC(C)(O)CO)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C27H48O6/c1-15(6-5-9-25(2,33)14-28)21-23(31)24(32)22-17-13-20(30)19-12-16(29)7-10-26(19,3)18(17)8-11-27(21,22)4/h15-24,28-33H,5-14H2,1-4H3
InChIKeyGOFUVFOWFYXTFB-UHFFFAOYSA-N
MW468.68 g/mol
LogP2.47
Rot. Bonds6

About 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol

17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol (PubChem CID 162967991) has the molecular formula C27H48O6 and a molecular weight of 468.68 g/mol. Its IUPAC name is 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol.

Molecular Properties

Compound Name17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol
PubChem CID162967991
Molecular FormulaC27H48O6
Molecular Weight468.68 g/mol
Exact Mass468.35
IUPAC Name17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol
SMILESCC(CCCC(C)(O)CO)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
InChIInChI=1S/C27H48O6/c1-15(6-5-9-25(2,33)14-28)21-23(31)24(32)22-17-13-20(30)19-12-16(29)7-10-26(19,3)18(17)8-11-27(21,22)4/h15-24,28-33H,5-14H2,1-4H3
InChIKeyGOFUVFOWFYXTFB-UHFFFAOYSA-N
XLogP2.47
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 52.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol 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 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol?
The IUPAC name of 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol (CID 162967991) is 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol.
What is the SMILES notation for 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol?
The canonical SMILES for 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol is CC(CCCC(C)(O)CO)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C.
What is the InChIKey of 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol?
The InChIKey is GOFUVFOWFYXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O6/c1-15(6-5-9-25(2,33)14-28)21-23(31)24(32)22-17-13-20(30)19-12-16(29)7-10-26(19,3)18(17)8-11-27(21,22)4/h15-24,28-33H,5-14H2,1-4H3.
What are the key properties of 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol?
17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol has a molecular weight of 468.68 g/mol, XLogP of 2.47, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15,16-tetrol is sourced from PubChem (CID 162967991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).