17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one

C23H34O5 — CID 3148351

IUPAC17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one
SMILESCC(=O)C1CCC2C3CCC4CC5(CC(=O)C4(C)C3C(O)CC12C)OCCO5
InChIInChI=1S/C23H34O5/c1-13(24)16-6-7-17-15-5-4-14-10-23(27-8-9-28-23)12-19(26)22(14,3)20(15)18(25)11-21(16,17)2/h14-18,20,25H,4-12H2,1-3H3
InChIKeyWFVNJFCMHPDSFZ-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.13
Rot. Bonds1

About 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one

17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one (PubChem CID 3148351) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one.

Molecular Properties

Compound Name17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one
PubChem CID3148351
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one
SMILESCC(=O)C1CCC2C3CCC4CC5(CC(=O)C4(C)C3C(O)CC12C)OCCO5
InChIInChI=1S/C23H34O5/c1-13(24)16-6-7-17-15-5-4-14-10-23(27-8-9-28-23)12-19(26)22(14,3)20(15)18(25)11-21(16,17)2/h14-18,20,25H,4-12H2,1-3H3
InChIKeyWFVNJFCMHPDSFZ-UHFFFAOYSA-N
XLogP3.13
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one?
The IUPAC name of 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one (CID 3148351) is 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one.
What is the SMILES notation for 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one?
The canonical SMILES for 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one is CC(=O)C1CCC2C3CCC4CC5(CC(=O)C4(C)C3C(O)CC12C)OCCO5.
What is the InChIKey of 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one?
The InChIKey is WFVNJFCMHPDSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O5/c1-13(24)16-6-7-17-15-5-4-14-10-23(27-8-9-28-23)12-19(26)22(14,3)20(15)18(25)11-21(16,17)2/h14-18,20,25H,4-12H2,1-3H3.
What are the key properties of 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one?
17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one has a molecular weight of 390.52 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17'-acetyl-11'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene]-1'-one is sourced from PubChem (CID 3148351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).