(3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

C24H38O2 — CID 167490271

About (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

(3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one (PubChem CID 167490271) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one.

Molecular Properties

• Compound Name: (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
• PubChem CID: 167490271
• Molecular Formula: C24H38O2
• Molecular Weight: 358.57 g/mol
• Exact Mass: 358.29
• IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
• SMILES: CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4[C@H](C5CC5)CC(=O)[C@@]4(C)CC[C@@H]32)C1
• InChI: InChI=1S/C24H38O2/c1-4-24(26)12-11-22(2)16(14-24)7-8-17-19(22)9-10-23(3)20(25)13-18(21(17)23)15-5-6-15/h15-19,21,26H,4-14H2,1-3H3/t16-,17+,18-,19-,21+,22-,23+,24-/m0/s1
• InChIKey: VUNUGRKJQUAEDQ-LDYQSAQRSA-N
• XLogP: 5.38
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.57
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one (CID 167490271) is (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one.

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

The canonical SMILES for (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one is CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4[C@H](C5CC5)CC(=O)[C@@]4(C)CC[C@@H]32)C1.

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

The InChIKey is VUNUGRKJQUAEDQ-LDYQSAQRSA-N. The full InChI is InChI=1S/C24H38O2/c1-4-24(26)12-11-22(2)16(14-24)7-8-17-19(22)9-10-23(3)20(25)13-18(21(17)23)15-5-6-15/h15-19,21,26H,4-14H2,1-3H3/t16-,17+,18-,19-,21+,22-,23+,24-/m0/s1.

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

(3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one has a molecular weight of 358.57 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S,8R,9S,10S,13S,14S,15S)-15-cyclopropyl-3-ethyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one is sourced from PubChem (CID 167490271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).