Regelin D
TL;DR: Regelin D (CAS 121880-07-7) is a chemical compound with molecular formula C31H48O4 and molecular weight 484.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate
Also Known As: Regelin D, Methyl 3-oxo-22-hydroxyolean-12-ene-29-oate, Methyl 22-hydroxy-3-oxoolean-12-en-29-oate, methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate, Methyl (5xi)-22alpha-hydroxy-3-oxo-18alpha-olean-12-en-30-oate
| Molecular Formula | C31H48O4 |
|---|---|
| Molecular Weight | 484.36 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 980.0 |
Chemical Identifiers
| CAS Number | 121880-07-7 |
|---|---|
| SMILES | C[C@]12CCC(=O)C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](C[C@@H]5O)(C)C(=O)OC)C)C)C)(C)C |
| InChIKey | GSCDCVRGFONNJZ-RSWZQJPJSA-N |
Product Overview
Regelin D (CAS 121880-07-7), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: methyl (2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate.
Chemical Property Profile of Regelin D
Property Insights of Regelin D
The XLogP value of 6.2 indicates that Regelin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Regelin D. Following Lipinski's Rule of Five, Regelin D has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Regelin D?
The CAS number of Regelin D is 121880-07-7.
What is the molecular formula of Regelin D?
The molecular formula of Regelin D is C31H48O4.
What is the molecular weight of Regelin D?
The molecular weight of Regelin D is 484.36 g/mol.
Where can I buy Regelin D?
You can request a quote for Regelin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Regelin D?
Yes, KEHONG BIO provides custom synthesis services for Regelin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.