methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene

C43H66O2 — CID 161448620

About methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene

methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene (PubChem CID 161448620) has the molecular formula C43H66O2 and a molecular weight of 615.00 g/mol. Its IUPAC name is methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene.

Molecular Properties

• Compound Name: methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene
• PubChem CID: 161448620
• Molecular Formula: C43H66O2
• Molecular Weight: 615.00 g/mol
• Exact Mass: 614.51
• IUPAC Name: methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene
• SMILES: C.C.CO.Cc1ccc2c(c1)CCC1C2=CC[C@@]2(C)C1CC[C@@H]2C.Cc1ccc2c(c1)CCC1C2[C@H](O)C[C@@]2(C)C1CC[C@@H]2C
• InChI: InChI=1S/C20H28O.C20H26.CH4O.2CH4/c1-12-4-7-15-14(10-12)6-8-16-17-9-5-13(2)20(17,3)11-18(21)19(15)16;1-13-4-7-16-15(12-13)6-8-18-17(16)10-11-20(3)14(2)5-9-19(18)20;1-2;;/h4,7,10,13,16-19,21H,5-6,8-9,11H2,1-3H3;4,7,10,12,14,18-19H,5-6,8-9,11H2,1-3H3;2H,1H3;2*1H4/t13-,16?,17?,18+,19?,20+;14-,18?,19?,20+;;;/m00.../s1
• InChIKey: WAFMLRGRMRMYAS-KSTPQHIESA-N
• XLogP: 10.74
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.00
LogP ≤ 5	10.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene?

The IUPAC name of methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene (CID 161448620) is methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene.

What is the SMILES notation for methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene?

The canonical SMILES for methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene is C.C.CO.Cc1ccc2c(c1)CCC1C2=CC[C@@]2(C)C1CC[C@@H]2C.Cc1ccc2c(c1)CCC1C2[C@H](O)C[C@@]2(C)C1CC[C@@H]2C.

What is the InChIKey of methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene?

The InChIKey is WAFMLRGRMRMYAS-KSTPQHIESA-N. The full InChI is InChI=1S/C20H28O.C20H26.CH4O.2CH4/c1-12-4-7-15-14(10-12)6-8-16-17-9-5-13(2)20(17,3)11-18(21)19(15)16;1-13-4-7-16-15(12-13)6-8-18-17(16)10-11-20(3)14(2)5-9-19(18)20;1-2;;/h4,7,10,13,16-19,21H,5-6,8-9,11H2,1-3H3;4,7,10,12,14,18-19H,5-6,8-9,11H2,1-3H3;2H,1H3;2*1H4/t13-,16?,17?,18+,19?,20+;14-,18?,19?,20+;;;/m00.../s1.

What are the key properties of methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene?

methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene has a molecular weight of 615.00 g/mol, XLogP of 10.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methanol;(11R,13R,17S)-3,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-ol;(13R,17S)-3,13,17-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 161448620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).