Ocotillol
TL;DR: Ocotillol (CAS 5986-39-0) is a chemical compound with molecular formula C30H52O3 and molecular weight 460.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Cabraleadiol, Ocotillol, 3-Epicabraleadiol, (3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C30H52O3 |
|---|---|
| Molecular Weight | 460.39 g/mol |
| LogP | 6.741 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.39163 |
| Heavy Atoms | 33 |
| Complexity | 783.9014 |
Chemical Identifiers
| CAS Number | 5986-39-0 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)C)C |
Product Overview
Ocotillol (CAS 5986-39-0), with molecular formula C30H52O3 and molecular weight 460.39 g/mol. IUPAC: 17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Ocotillol
Property Insights of Ocotillol
The XLogP value of 6.741 indicates that Ocotillol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, Ocotillol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ocotillol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ocotillol?
The CAS number of Ocotillol is 5986-39-0.
What is the molecular formula of Ocotillol?
The molecular formula of Ocotillol is C30H52O3.
What is the molecular weight of Ocotillol?
The molecular weight of Ocotillol is 460.39 g/mol.
Where can I buy Ocotillol?
You can request a quote for Ocotillol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ocotillol?
Yes, KEHONG BIO provides custom synthesis services for Ocotillol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.