(8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

C24H36O3 — CID 91751518

IUPAC(8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESCC1(C)OC[C@H]([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5(C)[C@H]4CC[C@]23C)O1
InChIInChI=1S/C24H36O3/c1-22(2)26-14-21(27-22)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,3)19(17)10-12-24(18,20)4/h13,17-21H,5-12,14H2,1-4H3/t17-,18-,19-,20+,21+,23?,24-/m0/s1
InChIKeyLIVZAOOCWISZFK-HNOAXQENSA-N
MW372.55 g/mol
LogP5.29
Rot. Bonds1

About (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

(8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (PubChem CID 91751518) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name(8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
PubChem CID91751518
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name(8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILESCC1(C)OC[C@H]([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5(C)[C@H]4CC[C@]23C)O1
InChIInChI=1S/C24H36O3/c1-22(2)26-14-21(27-22)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,3)19(17)10-12-24(18,20)4/h13,17-21H,5-12,14H2,1-4H3/t17-,18-,19-,20+,21+,23?,24-/m0/s1
InChIKeyLIVZAOOCWISZFK-HNOAXQENSA-N
XLogP5.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[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

Frequently Asked Questions

What is the IUPAC name of (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
The IUPAC name of (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (CID 91751518) is (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
The canonical SMILES for (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is CC1(C)OC[C@H]([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5(C)[C@H]4CC[C@]23C)O1.
What is the InChIKey of (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
The InChIKey is LIVZAOOCWISZFK-HNOAXQENSA-N. The full InChI is InChI=1S/C24H36O3/c1-22(2)26-14-21(27-22)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,3)19(17)10-12-24(18,20)4/h13,17-21H,5-12,14H2,1-4H3/t17-,18-,19-,20+,21+,23?,24-/m0/s1.
What are the key properties of (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one?
(8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 372.55 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,13S,14S,17S)-17-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 91751518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).