(1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol

C23H38O — CID 11890571

About (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol

(1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol (PubChem CID 11890571) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol.

Molecular Properties

• Compound Name: (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
• PubChem CID: 11890571
• Molecular Formula: C23H38O
• Molecular Weight: 330.56 g/mol
• Exact Mass: 330.29
• IUPAC Name: (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
• SMILES: C=C1CC[C@]2(C)CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]([C@H](C)O)CC[C@@H]34)[C@@]2(C)C1
• InChI: InChI=1S/C23H38O/c1-15-8-11-21(3)12-9-17-19-7-6-18(16(2)24)22(19,4)13-10-20(17)23(21,5)14-15/h16-20,24H,1,6-14H2,2-5H3/t16-,17+,18+,19-,20+,21+,22+,23+/m0/s1
• InChIKey: DKVSCGXPVFHNKP-AMNZAEFNSA-N
• XLogP: 5.97
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	330.56
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol?

The IUPAC name of (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol (CID 11890571) is (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol.

What is the SMILES notation for (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol?

The canonical SMILES for (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol is C=C1CC[C@]2(C)CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]([C@H](C)O)CC[C@@H]34)[C@@]2(C)C1.

What is the InChIKey of (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol?

The InChIKey is DKVSCGXPVFHNKP-AMNZAEFNSA-N. The full InChI is InChI=1S/C23H38O/c1-15-8-11-21(3)12-9-17-19-7-6-18(16(2)24)22(19,4)13-10-20(17)23(21,5)14-15/h16-20,24H,1,6-14H2,2-5H3/t16-,17+,18+,19-,20+,21+,22+,23+/m0/s1.

What are the key properties of (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol?

(1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol has a molecular weight of 330.56 g/mol, XLogP of 5.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[(5S,8R,9R,10R,13S,14S,17S)-5,10,13-trimethyl-2-methylidene-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol is sourced from PubChem (CID 11890571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).