Cycloheptanonhelveticosid
TL;DR: Cycloheptanonhelveticosid (CAS 5324-51-6) is a chemical compound with molecular formula C36H52O9 and molecular weight 628.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13R,17R)-5,14-dihydroxy-13-methyl-3-[(4R,6S)-4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cycloheptane]-6-yl]oxy-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Cycloheptanonhelveticosid, Cycloheptanonhelveticosid [German], KST-1A5423, (3s,5s,8r,9s,10s,13r,17r)-5,14-dihydroxy-13-methyl-3-[(4r,6s)-4-methylspiro[4,6,7,7a-tetrahydro-3ah-[1,3]dioxolo[4,5-d]pyran-2,1'-cycloheptane]-6-yl]oxy-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde, 5-beta-Card-20(22)-enolide, 3-beta-((3,4-O-cycloheptylidene-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
| Molecular Formula | C36H52O9 |
|---|---|
| Molecular Weight | 628.36 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 628.36115 |
| Heavy Atoms | 45 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 5324-51-6 |
|---|---|
| SMILES | C[C@@H]1C2C(C[C@H](O1)O[C@H]3CC[C@@]4([C@H]5CC[C@@]6([C@H](CCC6([C@@H]5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)C=O)OC8(O2)CCCCCC8 |
| InChIKey | JAVSLHSMOQLXOG-ZVVHZKMISA-N |
Product Overview
Cycloheptanonhelveticosid (CAS 5324-51-6), with molecular formula C36H52O9 and molecular weight 628.36 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,17R)-5,14-dihydroxy-13-methyl-3-[(4R,6S)-4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cycloheptane]-6-yl]oxy-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Cycloheptanonhelveticosid
Property Insights of Cycloheptanonhelveticosid
The XLogP value of 3.4 indicates that Cycloheptanonhelveticosid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cycloheptanonhelveticosid. Following Lipinski's Rule of Five, Cycloheptanonhelveticosid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cycloheptanonhelveticosid?
The CAS number of Cycloheptanonhelveticosid is 5324-51-6.
What is the molecular formula of Cycloheptanonhelveticosid?
The molecular formula of Cycloheptanonhelveticosid is C36H52O9.
What is the molecular weight of Cycloheptanonhelveticosid?
The molecular weight of Cycloheptanonhelveticosid is 628.36 g/mol.
Where can I buy Cycloheptanonhelveticosid?
You can request a quote for Cycloheptanonhelveticosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanonhelveticosid?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanonhelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.