18-Olean-9(11),12-diene-3,30-diol dihemiphthalate
TL;DR: 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate (CAS 102416-28-4) is a chemical compound with molecular formula C46H56O8 and molecular weight 736.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
Also Known As: ODDDH, 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate, 2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid, 2,2'-[Oleana-9(11),12-diene-3,29-diylbis(oxycarbonyl)]dibenzoic acid, 2,2'-[Oleana-9(11),12-diene-3,30-diylbis(oxycarbonyl)]dibenzoic acid
| Molecular Formula | C46H56O8 |
|---|---|
| Molecular Weight | 736.40 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 736.3975 |
| Heavy Atoms | 54 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 102416-28-4 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC=C4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O |
| InChIKey | OVUWHPVLTCHBKS-YOOADNSVSA-N |
Product Overview
18-Olean-9(11),12-diene-3,30-diol dihemiphthalate (CAS 102416-28-4), with molecular formula C46H56O8 and molecular weight 736.40 g/mol. IUPAC: 2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid.
Chemical Property Profile of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate
Property Insights of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate
The XLogP value of 10.8 indicates that 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate. Following Lipinski's Rule of Five, 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate?
The CAS number of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate is 102416-28-4.
What is the molecular formula of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate?
The molecular formula of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate is C46H56O8.
What is the molecular weight of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate?
The molecular weight of 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate is 736.40 g/mol.
Where can I buy 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate?
You can request a quote for 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate?
Yes, KEHONG BIO provides custom synthesis services for 18-Olean-9(11),12-diene-3,30-diol dihemiphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.