(17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate

C24H34O3 — CID 144765122

About (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate

(17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate (PubChem CID 144765122) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate.

Molecular Properties

• Compound Name: (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate
• PubChem CID: 144765122
• Molecular Formula: C24H34O3
• Molecular Weight: 370.53 g/mol
• Exact Mass: 370.25
• IUPAC Name: (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate
• SMILES: CCCC1CC(OC)C2(C)CCC3c4ccc(OC(C)=O)cc4CCC3C12
• InChI: InChI=1S/C24H34O3/c1-5-6-17-14-22(26-4)24(3)12-11-20-19-10-8-18(27-15(2)25)13-16(19)7-9-21(20)23(17)24/h8,10,13,17,20-23H,5-7,9,11-12,14H2,1-4H3
• InChIKey: ZENUQDKHYCPDSB-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.53
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate?

The IUPAC name of (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate (CID 144765122) is (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate.

What is the SMILES notation for (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate?

The canonical SMILES for (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate is CCCC1CC(OC)C2(C)CCC3c4ccc(OC(C)=O)cc4CCC3C12.

What is the InChIKey of (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate?

The InChIKey is ZENUQDKHYCPDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-5-6-17-14-22(26-4)24(3)12-11-20-19-10-8-18(27-15(2)25)13-16(19)7-9-21(20)23(17)24/h8,10,13,17,20-23H,5-7,9,11-12,14H2,1-4H3.

What are the key properties of (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate?

(17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate has a molecular weight of 370.53 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (17-methoxy-13-methyl-15-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) acetate is sourced from PubChem (CID 144765122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).