Stemphone
TL;DR: Stemphone (CAS 54854-92-1) is a chemical compound with molecular formula C30H42O8 and molecular weight 530.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,2S,3S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate
Also Known As: Stemphone, Cochlioquinone A, 21,22-didehydro-, (21E)-, [(E,2S,3S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate, ((E,2S,3S)-2-((3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano(3,2-a)xanthen-9-yl)-4-methylhex-4-en-3-yl) acetate, RefChem:185527
| Molecular Formula | C30H42O8 |
|---|---|
| Molecular Weight | 530.29 g/mol |
| LogP | 3.7373 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.28796 |
| Heavy Atoms | 38 |
| Complexity | 1123.5647 |
Chemical Identifiers
| CAS Number | 54854-92-1 |
|---|---|
| SMILES | C/C=C(\C)/[C@H]([C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(C)(C)O)C)C)OC(=O)C |
Product Overview
Stemphone (CAS 54854-92-1), with molecular formula C30H42O8 and molecular weight 530.29 g/mol. IUPAC: [(E,2S,3S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate.
Chemical Property Profile of Stemphone
Property Insights of Stemphone
The XLogP value of 3.7373 indicates that Stemphone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Stemphone. Following Lipinski's Rule of Five, Stemphone has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Stemphone?
The CAS number of Stemphone is 54854-92-1.
What is the molecular formula of Stemphone?
The molecular formula of Stemphone is C30H42O8.
What is the molecular weight of Stemphone?
The molecular weight of Stemphone is 530.29 g/mol.
Where can I buy Stemphone?
You can request a quote for Stemphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stemphone?
Yes, KEHONG BIO provides custom synthesis services for Stemphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.