Myrrhanol A
TL;DR: Myrrhanol A (CAS 350809-42-6) 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.
(1R,2R,4aS,6S,8aS)-1-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol
Also Known As: Myrrhanol A, Myrrhanone A, Anti-inflammatories, Toyama Medical University, J1.455.919A, (2S,4aS,5R,6R,8aS)-1,1,4a,6-Tetramethyl-5-[(3E,7E,11E)-4,8,12-trimethyl-13-hydroxytrideca-3,7,11-trienyl]decalin-2,6-diol
| Molecular Formula | C30H52O3 |
|---|---|
| Molecular Weight | 460.39 g/mol |
| LogP | 7.1226 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.39163 |
| Heavy Atoms | 33 |
| Complexity | 726.8237 |
Chemical Identifiers
| CAS Number | 350809-42-6 |
|---|---|
| SMILES | C/C(=C\CC[C@@H]1[C@]2(CC[C@@H](C([C@H]2CC[C@@]1(C)O)(C)C)O)C)/CC/C=C(\C)/CC/C=C(\C)/CO |
Product Overview
Myrrhanol A (CAS 350809-42-6), with molecular formula C30H52O3 and molecular weight 460.39 g/mol. IUPAC: (1R,2R,4aS,6S,8aS)-1-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol.
Chemical Property Profile of Myrrhanol A
Property Insights of Myrrhanol A
The XLogP value of 7.1226 indicates that Myrrhanol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Myrrhanol A. Following Lipinski's Rule of Five, Myrrhanol A has 3 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 Myrrhanol A?
The CAS number of Myrrhanol A is 350809-42-6.
What is the molecular formula of Myrrhanol A?
The molecular formula of Myrrhanol A is C30H52O3.
What is the molecular weight of Myrrhanol A?
The molecular weight of Myrrhanol A is 460.39 g/mol.
Where can I buy Myrrhanol A?
You can request a quote for Myrrhanol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrrhanol A?
Yes, KEHONG BIO provides custom synthesis services for Myrrhanol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.