Macrocalin B
TL;DR: Macrocalin B (CAS 93781-75-0) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,5S,8R,9S,11S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
Also Known As: Macrocalin B, (2S,3S,5S,8R,9S,11S,14S,15R)-3,13,14-Trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one, Kaur-16-en-15-one, 7,20:14,20-diepoxy-6,7,11-trihydroxy-, (6beta,7alpha,11beta,14S,20S)-
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 93781-75-0 |
|---|---|
| SMILES | CC1(CCCC23[C@@H]1[C@@H](C4([C@]56[C@H]2[C@H](C[C@H]([C@@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C |
| InChIKey | GSRZMSWBSLHHAD-PYMBGWLLSA-N |
Product Overview
Macrocalin B (CAS 93781-75-0), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: (2S,3S,5S,8R,9S,11S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one.
Chemical Property Profile of Macrocalin B
Property Insights of Macrocalin B
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Macrocalin B. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Macrocalin B. Following Lipinski's Rule of Five, Macrocalin B has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Macrocalin B?
The CAS number of Macrocalin B is 93781-75-0.
What is the molecular formula of Macrocalin B?
The molecular formula of Macrocalin B is C20H26O6.
What is the molecular weight of Macrocalin B?
The molecular weight of Macrocalin B is 362.17 g/mol.
Where can I buy Macrocalin B?
You can request a quote for Macrocalin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Macrocalin B?
Yes, KEHONG BIO provides custom synthesis services for Macrocalin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.