(7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol

C24H42O2 — CID 163648711

About (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol

(7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol (PubChem CID 163648711) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol.

Molecular Properties

• Compound Name: (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol
• PubChem CID: 163648711
• Molecular Formula: C24H42O2
• Molecular Weight: 362.60 g/mol
• Exact Mass: 362.32
• IUPAC Name: (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol
• SMILES: CCCC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4CCCCC4(C)[C@H]3C[C@H](O)C12C
• InChI: InChI=1S/C24H42O2/c1-5-8-15(2)17-10-11-18-22-19(14-21(26)24(17,18)4)23(3)12-7-6-9-16(23)13-20(22)25/h15-22,25-26H,5-14H2,1-4H3/t15?,16?,17-,18+,19+,20-,21+,22+,23?,24?/m1/s1
• InChIKey: IKJSLADKIQHFIJ-UUYQDMTCSA-N
• XLogP: 5.41
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.60
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol?

The IUPAC name of (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol (CID 163648711) is (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol.

What is the SMILES notation for (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol?

The canonical SMILES for (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol is CCCC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4CCCCC4(C)[C@H]3C[C@H](O)C12C.

What is the InChIKey of (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol?

The InChIKey is IKJSLADKIQHFIJ-UUYQDMTCSA-N. The full InChI is InChI=1S/C24H42O2/c1-5-8-15(2)17-10-11-18-22-19(14-21(26)24(17,18)4)23(3)12-7-6-9-16(23)13-20(22)25/h15-22,25-26H,5-14H2,1-4H3/t15?,16?,17-,18+,19+,20-,21+,22+,23?,24?/m1/s1.

What are the key properties of (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol?

(7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol has a molecular weight of 362.60 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,8R,9S,12S,14S,17R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-7,12-diol is sourced from PubChem (CID 163648711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).