(3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene

C24H40 — CID 161338233

About (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene

(3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene (PubChem CID 161338233) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene.

Molecular Properties

• Compound Name: (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
• PubChem CID: 161338233
• Molecular Formula: C24H40
• Molecular Weight: 328.58 g/mol
• Exact Mass: 328.31
• IUPAC Name: (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
• SMILES: C/C=C1/CCC2C3C(C)[C@@H](C)C4C[C@@H](C)CC[C@]4(C)C3CC[C@]12C
• InChI: InChI=1S/C24H40/c1-7-18-8-9-19-22-17(4)16(3)21-14-15(2)10-12-24(21,6)20(22)11-13-23(18,19)5/h7,15-17,19-22H,8-14H2,1-6H3/b18-7-/t15-,16+,17?,19?,20?,21?,22?,23+,24+/m0/s1
• InChIKey: IFPDKHRUTGRLPV-OLRACFRCSA-N
• XLogP: 7.10
• TPSA: 0.00 Ų
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	328.58
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?

The IUPAC name of (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene (CID 161338233) is (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene.

What is the SMILES notation for (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?

The canonical SMILES for (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene is C/C=C1/CCC2C3C(C)[C@@H](C)C4C[C@@H](C)CC[C@]4(C)C3CC[C@]12C.

What is the InChIKey of (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?

The InChIKey is IFPDKHRUTGRLPV-OLRACFRCSA-N. The full InChI is InChI=1S/C24H40/c1-7-18-8-9-19-22-17(4)16(3)21-14-15(2)10-12-24(21,6)20(22)11-13-23(18,19)5/h7,15-17,19-22H,8-14H2,1-6H3/b18-7-/t15-,16+,17?,19?,20?,21?,22?,23+,24+/m0/s1.

What are the key properties of (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene?

(3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene has a molecular weight of 328.58 g/mol, XLogP of 7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6R,10S,13S,17Z)-17-ethylidene-3,6,7,10,13-pentamethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 161338233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).