Camellidin I
TL;DR: Camellidin I (CAS 96827-22-4) is a chemical compound with molecular formula C55H86O25 and molecular weight 1146.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(12a-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,8a,9,10,12,14,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Camellidin I, Camellidin monoacetate, 6-[(12a-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,8a,9,10,12,14,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, (3beta)-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-4))-, I(2)-D-Glucopyranosiduronic acid, (3I(2))-18-(acetyloxy)-16-oxo-28-norolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I(2)-D-galactopyranosyl-(1a4)]-
| Molecular Formula | C55H86O25 |
|---|---|
| Molecular Weight | 1146.55 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 397.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 14 |
| Exact Mass | 1146.5458 |
| Heavy Atoms | 80 |
| Complexity | 2300.0 |
Chemical Identifiers
| CAS Number | 96827-22-4 |
|---|---|
| SMILES | CC(=O)OC12CC(CCC1C(=O)CC3(C2=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)(C)C |
| InChIKey | TVDLDADJOJWXBX-UHFFFAOYSA-N |
Product Overview
Camellidin I (CAS 96827-22-4), with molecular formula C55H86O25 and molecular weight 1146.55 g/mol. IUPAC: 6-[(12a-acetyloxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,8a,9,10,12,14,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Camellidin I
Property Insights of Camellidin I
The XLogP value of -0.4 indicates that Camellidin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 397.0 Ų indicates high polarity, suggesting Camellidin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Camellidin I has 13 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Camellidin I?
The CAS number of Camellidin I is 96827-22-4.
What is the molecular formula of Camellidin I?
The molecular formula of Camellidin I is C55H86O25.
What is the molecular weight of Camellidin I?
The molecular weight of Camellidin I is 1146.55 g/mol.
Where can I buy Camellidin I?
You can request a quote for Camellidin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Camellidin I?
Yes, KEHONG BIO provides custom synthesis services for Camellidin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.