(8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene

C141H204 — CID 160917874

About (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene

(8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene (PubChem CID 160917874) has the molecular formula C141H204 and a molecular weight of 1899.18 g/mol. Its IUPAC name is (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene.

Molecular Properties

• Compound Name: (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene
• PubChem CID: 160917874
• Molecular Formula: C141H204
• Molecular Weight: 1899.18 g/mol
• Exact Mass: 1897.60
• IUPAC Name: (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene
• SMILES: C.CC1=CC[C@H]2[C@@H]3CC=C4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.CC1=CC[C@H]2[C@@H]3CC[C@H]4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.CC1CC[C@H]2[C@@H]3CC=C4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.CC1CC[C@H]2[C@@H]3CC[C@H]4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1
• InChI: InChI=1S/C25H44.2C25H42.C25H40.4C10H8.CH4/c4*1-17-7-10-21-20-9-8-19-15-18(16-23(2,3)4)11-13-25(19,6)22(20)12-14-24(17,21)5;4*1-2-6-10-8-4-3-7-9(10)5-1;/h17-22H,7-16H2,1-6H3;8,17-18,20-22H,7,9-16H2,1-6H3;7,18-22H,8-16H2,1-6H3;7-8,18,20-22H,9-16H2,1-6H3;4*1-8H;1H4/t17?,18?,19-,20-,21-,22-,24+,25-;17?,18?,20-,21-,22-,24+,25-;18?,19-,20-,21-,22-,24+,25-;18?,20-,21-,22-,24+,25-;;;;;/m0000...../s1
• InChIKey: SRQJLMUWZFFCTK-GRXKEZCFSA-N
• XLogP: 42.55
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1899.18
LogP ≤ 5	42.55
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 (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene?

The IUPAC name of (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene (CID 160917874) is (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene.

What is the SMILES notation for (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene?

The canonical SMILES for (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene is C.CC1=CC[C@H]2[C@@H]3CC=C4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.CC1=CC[C@H]2[C@@H]3CC[C@H]4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.CC1CC[C@H]2[C@@H]3CC=C4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.CC1CC[C@H]2[C@@H]3CC[C@H]4CC(CC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.

What is the InChIKey of (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene?

The InChIKey is SRQJLMUWZFFCTK-GRXKEZCFSA-N. The full InChI is InChI=1S/C25H44.2C25H42.C25H40.4C10H8.CH4/c4*1-17-7-10-21-20-9-8-19-15-18(16-23(2,3)4)11-13-25(19,6)22(20)12-14-24(17,21)5;4*1-2-6-10-8-4-3-7-9(10)5-1;/h17-22H,7-16H2,1-6H3;8,17-18,20-22H,7,9-16H2,1-6H3;7,18-22H,8-16H2,1-6H3;7-8,18,20-22H,9-16H2,1-6H3;4*1-8H;1H4/t17?,18?,19-,20-,21-,22-,24+,25-;17?,18?,20-,21-,22-,24+,25-;18?,19-,20-,21-,22-,24+,25-;18?,20-,21-,22-,24+,25-;;;;;/m0000...../s1.

What are the key properties of (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene?

(8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene has a molecular weight of 1899.18 g/mol, XLogP of 42.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (8R,9S,10R,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene;(5S,8R,9S,10S,13S,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(5S,8S,9S,10S,13R,14S)-3-(2,2-dimethylpropyl)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane;naphthalene is sourced from PubChem (CID 160917874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).