Kadsulactone A
TL;DR: Kadsulactone A (CAS 132296-71-0) is a chemical compound with molecular formula C30H42O5 and molecular weight 482.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one
Also Known As: Kadsulactone A, 6-O-Deacetylschisanbilactone A, 3H,6H-Cyclopenta(5,6)cyclopropa(1,8a)naphth(2,1-c)oxepin-3-one, 9-((1S)-1-((2S)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl)ethyl)-1,7,8,8a,9,10,11,11a,11b,12,13,13a-dodecahydro-13-hydroxy-1,1,8a,11a-tetramethyl-, (5aS,6aS,8aR,9R,11aS,11bS,13R,13aS)-, hydroxy-tetramethyl-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl][?]one, (1R,3aS,3bS,5R,5aS,10aS,11aS,13aR)-5-Hydroxy-3a,6,6,13a-tetramethyl-1-{(1S)-1-[(2S)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-1,2,3,3a,3b,4,5,5a,6,12,13,13a-dodecahydro-8H,11H-cyclopenta[5,6]cyclopropa[1,8a]naphtho[2,1-c]oxepin-8-one
| Molecular Formula | C30H42O5 |
|---|---|
| Molecular Weight | 482.30 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 482.30322 |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 132296-71-0 |
|---|---|
| SMILES | CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3C[C@H]([C@@H]6[C@]4(C5)C=CC(=O)OC6(C)C)O)C)C |
| InChIKey | APOPUTYAPYVYFW-HLNDSBHSSA-N |
Product Overview
Kadsulactone A (CAS 132296-71-0), with molecular formula C30H42O5 and molecular weight 482.30 g/mol. IUPAC: (1S,3S,9S,10R,12S,13S,16R,17R)-10-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one.
Chemical Property Profile of Kadsulactone A
Property Insights of Kadsulactone A
The XLogP value of 6.5 indicates that Kadsulactone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Kadsulactone A. Following Lipinski's Rule of Five, Kadsulactone A has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kadsulactone A?
The CAS number of Kadsulactone A is 132296-71-0.
What is the molecular formula of Kadsulactone A?
The molecular formula of Kadsulactone A is C30H42O5.
What is the molecular weight of Kadsulactone A?
The molecular weight of Kadsulactone A is 482.30 g/mol.
Where can I buy Kadsulactone A?
You can request a quote for Kadsulactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kadsulactone A?
Yes, KEHONG BIO provides custom synthesis services for Kadsulactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.