A'-Neogammaceran-3-ol, acetate, (3beta)-
TL;DR: A'-Neogammaceran-3-ol, acetate, (3beta)- (CAS 84710-61-2) is a chemical compound with molecular formula C32H54O2 and molecular weight 470.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
Also Known As: Hopan-3-yl acetate, Hopan-3beta-yl acetate, A'-Neogammaceran-3-ol, acetate, (3beta)-, [(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
| Molecular Formula | C32H54O2 |
|---|---|
| Molecular Weight | 470.41 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.41238 |
| Heavy Atoms | 34 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 84710-61-2 |
|---|---|
| SMILES | CC(C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)C)C |
| InChIKey | ABMLKFDCFCYEGT-AKPNHTRRSA-N |
Product Overview
A'-Neogammaceran-3-ol, acetate, (3beta)- (CAS 84710-61-2), with molecular formula C32H54O2 and molecular weight 470.41 g/mol. IUPAC: [(3R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate.
Chemical Property Profile of A'-Neogammaceran-3-ol, acetate, (3beta)-
Property Insights of A'-Neogammaceran-3-ol, acetate, (3beta)-
The XLogP value of 10.5 indicates that A'-Neogammaceran-3-ol, acetate, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, A'-Neogammaceran-3-ol, acetate, (3beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A'-Neogammaceran-3-ol, acetate, (3beta)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A'-Neogammaceran-3-ol, acetate, (3beta)-?
The CAS number of A'-Neogammaceran-3-ol, acetate, (3beta)- is 84710-61-2.
What is the molecular formula of A'-Neogammaceran-3-ol, acetate, (3beta)-?
The molecular formula of A'-Neogammaceran-3-ol, acetate, (3beta)- is C32H54O2.
What is the molecular weight of A'-Neogammaceran-3-ol, acetate, (3beta)-?
The molecular weight of A'-Neogammaceran-3-ol, acetate, (3beta)- is 470.41 g/mol.
Where can I buy A'-Neogammaceran-3-ol, acetate, (3beta)-?
You can request a quote for A'-Neogammaceran-3-ol, acetate, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A'-Neogammaceran-3-ol, acetate, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for A'-Neogammaceran-3-ol, acetate, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.