(2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

C23H40O3 — CID 139407828

About (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

(2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol (PubChem CID 139407828) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol.

Molecular Properties

• Compound Name: (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
• PubChem CID: 139407828
• Molecular Formula: C23H40O3
• Molecular Weight: 364.57 g/mol
• Exact Mass: 364.30
• IUPAC Name: (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
• SMILES: CO[C@H]1C[C@]2(C)[C@@H](OC)CC[C@H]2[C@@H]2CC[C@@]3(C)C[C@H](O)[C@H](C)C[C@]3(C)[C@H]21
• InChI: InChI=1S/C23H40O3/c1-14-11-23(4)20-15(9-10-21(23,2)12-17(14)24)16-7-8-19(26-6)22(16,3)13-18(20)25-5/h14-20,24H,7-13H2,1-6H3/t14-,15+,16+,17+,18+,19+,20-,21+,22+,23-/m1/s1
• InChIKey: OHTGOCKSTBYSEK-GUAOBXORSA-N
• XLogP: 4.67
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.57
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol (CID 139407828) is (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol.

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

The canonical SMILES for (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol is CO[C@H]1C[C@]2(C)[C@@H](OC)CC[C@H]2[C@@H]2CC[C@@]3(C)C[C@H](O)[C@H](C)C[C@]3(C)[C@H]21.

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

The InChIKey is OHTGOCKSTBYSEK-GUAOBXORSA-N. The full InChI is InChI=1S/C23H40O3/c1-14-11-23(4)20-15(9-10-21(23,2)12-17(14)24)16-7-8-19(26-6)22(16,3)13-18(20)25-5/h14-20,24H,7-13H2,1-6H3/t14-,15+,16+,17+,18+,19+,20-,21+,22+,23-/m1/s1.

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

(2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol has a molecular weight of 364.57 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5S,8S,9S,10R,11S,13S,14S,17S)-11,17-dimethoxy-2,5,10,13-tetramethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 139407828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).