dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol

C46H77O4P — CID 163764490

About dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol

dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol (PubChem CID 163764490) has the molecular formula C46H77O4P and a molecular weight of 725.09 g/mol. Its IUPAC name is dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol.

Molecular Properties

• Compound Name: dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol
• PubChem CID: 163764490
• Molecular Formula: C46H77O4P
• Molecular Weight: 725.09 g/mol
• Exact Mass: 724.56
• IUPAC Name: dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol
• SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]45C[C@](C)(O)CC[C@]4(C5)[C@H]3CC[C@]12C.CC(O)C1CC[C@H]2[C@@H]3CC[C@]45C[C@](C)(O)CC[C@]4(C5)[C@H]3CC[C@]12C.CPC
• InChI: InChI=1S/C22H36O2.C22H34O2.C2H7P/c2*1-14(23)16-4-5-17-15-6-9-21-12-19(2,24)10-11-22(21,13-21)18(15)7-8-20(16,17)3;1-3-2/h14-18,23-24H,4-13H2,1-3H3;15-18,24H,4-13H2,1-3H3;3H,1-2H3/t14?,15-,16?,17-,18-,19+,20+,21+,22-;15-,16+,17-,18-,19+,20+,21+,22-;/m00./s1
• InChIKey: MBBHYYKKVHYRFM-IZBNIBCSSA-N
• XLogP: 10.19
• TPSA: 77.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.09
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol?

The IUPAC name of dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol (CID 163764490) is dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol.

What is the SMILES notation for dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol?

The canonical SMILES for dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol is CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]45C[C@](C)(O)CC[C@]4(C5)[C@H]3CC[C@]12C.CC(O)C1CC[C@H]2[C@@H]3CC[C@]45C[C@](C)(O)CC[C@]4(C5)[C@H]3CC[C@]12C.CPC.

What is the InChIKey of dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol?

The InChIKey is MBBHYYKKVHYRFM-IZBNIBCSSA-N. The full InChI is InChI=1S/C22H36O2.C22H34O2.C2H7P/c2*1-14(23)16-4-5-17-15-6-9-21-12-19(2,24)10-11-22(21,13-21)18(15)7-8-20(16,17)3;1-3-2/h14-18,23-24H,4-13H2,1-3H3;15-18,24H,4-13H2,1-3H3;3H,1-2H3/t14?,15-,16?,17-,18-,19+,20+,21+,22-;15-,16+,17-,18-,19+,20+,21+,22-;/m00./s1.

What are the key properties of dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol?

dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol has a molecular weight of 725.09 g/mol, XLogP of 10.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylphosphane;1-[(1S,2S,5S,6S,9S,10S,13S,15R)-15-hydroxy-5,15-dimethyl-6-pentacyclo[11.4.1.01,13.02,10.05,9]octadecanyl]ethanone;(1S,2S,5S,9S,10S,13S,15R)-6-(1-hydroxyethyl)-5,15-dimethylpentacyclo[11.4.1.01,13.02,10.05,9]octadecan-15-ol is sourced from PubChem (CID 163764490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).