Cucurbitacin I
TL;DR: Cucurbitacin I (CAS 28580-39-4) is a chemical compound with molecular formula C30H42O7 and molecular weight 514.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: Cucurbitacin I, Elatericin B, Ibamarin, Cucurbitacine (I), Cucurbitacine I
| Molecular Formula | C30H42O7 |
|---|---|
| Molecular Weight | 514.29 g/mol |
| LogP | 3.6194 |
| Topological Polar Surface Area | 132.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 514.293 |
| Heavy Atoms | 37 |
| Complexity | 1148.9154 |
Chemical Identifiers
| CAS Number | 28580-39-4 |
|---|---|
| SMILES | C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O |
Product Overview
Cucurbitacin I (CAS 28580-39-4), with molecular formula C30H42O7 and molecular weight 514.29 g/mol. IUPAC: (8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of Cucurbitacin I
Property Insights of Cucurbitacin I
The XLogP value of 3.6194 indicates that Cucurbitacin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Cucurbitacin I. Following Lipinski's Rule of Five, Cucurbitacin I has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cucurbitacin I?
The CAS number of Cucurbitacin I is 28580-39-4.
What is the molecular formula of Cucurbitacin I?
The molecular formula of Cucurbitacin I is C30H42O7.
What is the molecular weight of Cucurbitacin I?
The molecular weight of Cucurbitacin I is 514.29 g/mol.
Where can I buy Cucurbitacin I?
You can request a quote for Cucurbitacin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cucurbitacin I?
Yes, KEHONG BIO provides custom synthesis services for Cucurbitacin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.