Cyclopentanohelveticosid
TL;DR: Cyclopentanohelveticosid (CAS 38561-79-4) is a chemical compound with molecular formula C34H48O9 and molecular weight 600.33 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'-cyclopentane]-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: Cyclopentanohelveticosid, Cyclopentanohelveticosid [German], FG 207, KST-1A5025, (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'-cyclopentane]-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
| Molecular Formula | C34H48O9 |
|---|---|
| Molecular Weight | 600.33 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 600.32983 |
| Heavy Atoms | 43 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 38561-79-4 |
|---|---|
| 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)CCCC8 |
| InChIKey | KZQGYUHMTZEZQB-VVZWOSLLSA-N |
Product Overview
Cyclopentanohelveticosid (CAS 38561-79-4), with molecular formula C34H48O9 and molecular weight 600.33 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'-cyclopentane]-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 Cyclopentanohelveticosid
Property Insights of Cyclopentanohelveticosid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanohelveticosid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopentanohelveticosid. Following Lipinski's Rule of Five, Cyclopentanohelveticosid 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 Cyclopentanohelveticosid?
The CAS number of Cyclopentanohelveticosid is 38561-79-4.
What is the molecular formula of Cyclopentanohelveticosid?
The molecular formula of Cyclopentanohelveticosid is C34H48O9.
What is the molecular weight of Cyclopentanohelveticosid?
The molecular weight of Cyclopentanohelveticosid is 600.33 g/mol.
Where can I buy Cyclopentanohelveticosid?
You can request a quote for Cyclopentanohelveticosid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanohelveticosid?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanohelveticosid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.