Carumbelloside I
TL;DR: Carumbelloside I (CAS 155740-22-0) is a chemical compound with molecular formula C33H52O13 and molecular weight 656.3408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3S,8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Carumbelloside I, Carumbelloside-I, CarumbellosideI, Caraumbelloside I, 14-Hydroxy-20-oxopregn-5-en-3-yl 6-O-hexopyranosylhexopyranoside
Technical Specifications
| Molecular Formula | C33H52O13 |
| Molecular Weight | 656.3408 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 656.3408 Da |
| Heavy Atoms | 46 |
| Complexity | 1170.0 |
| SMILES | CC(=O)[C@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)O |
| InChIKey | ONTHLGJMCGABMK-DAVNDCIYSA-N |
Chemical Property Profile of Carumbelloside I
Property Insights of Carumbelloside I
The XLogP value of -1.1 indicates that Carumbelloside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting Carumbelloside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carumbelloside I has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carumbelloside I?
The CAS number of Carumbelloside I is 155740-22-0.
What is the molecular formula of Carumbelloside I?
The molecular formula of Carumbelloside I is C33H52O13.
What is the molecular weight of Carumbelloside I?
The molecular weight of Carumbelloside I is 656.3408 g/mol.
Where can I buy Carumbelloside I?
You can request a quote for Carumbelloside I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carumbelloside I?
Yes, CoreyChem provides custom synthesis services for Carumbelloside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.