5,6-O-Isopropylidene-7-ketolyoniol-B
TL;DR: 5,6-O-Isopropylidene-7-ketolyoniol-B (CAS 40118-17-0) is a chemical compound with molecular formula C23H34O6 and molecular weight 406.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,18-dihydroxy-5,5,8,8,13,18-hexamethyl-4,6,10-trioxahexacyclo[15.2.1.01,14.03,7.07,12.09,11]icosan-2-one
Also Known As: 5,6-O-Isopropylidene-7-ketolyoniol-B, 4H-9,11a-Methanooxireno(3',4')cyclopenta(1',2':3,4)heptaleno(2,3-d)-1,3-dioxol-12(12aH)-one, decahydro-6,10-dihydroxy-2,2,4,4,6,10-hexamethyl-, (4aR-(3aR*,4a-alpha,5a-alpha,5b-alpha,6-alpha,6a-beta,9-alpha,10-alpha,11a-alpha,12a-alpha))-, 8,12-dihydroxy-2,2,4,4,8,12-hexamethyldecahydro-2h-6a,9-methanooxireno[3',4']cyclopenta[1',2':3,4]heptaleno[2,3-d][1,3]dioxol-6(5ah)-one, 6,10-Dihydroxy-2,2,4,4,6,10-hexamethyldecahydro-2H,4H-9,11a-methanooxireno[3',4']cyclopenta[1',2':3,4]heptaleno[2,3-d][1,3]dioxol-12(12aH)-one, 8,12-Dihydroxy-2,2,4,4,8,12-hexamethyldecahydro-2H,4H-6a,9-methanooxireno[3',4']cyclopenta[1',2':3,4]heptaleno[2,3-d][1,3]dioxol-6(5aH)-one
| Molecular Formula | C23H34O6 |
|---|---|
| Molecular Weight | 406.24 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 406.23553 |
| Heavy Atoms | 29 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 40118-17-0 |
|---|---|
| SMILES | CC1(C2C(O2)C3C14C(C(=O)C56CC(CCC5C3(C)O)C(C6)(C)O)OC(O4)(C)C)C |
| InChIKey | UHUSLBDOCJKBAS-UHFFFAOYSA-N |
Product Overview
5,6-O-Isopropylidene-7-ketolyoniol-B (CAS 40118-17-0), with molecular formula C23H34O6 and molecular weight 406.24 g/mol. IUPAC: 13,18-dihydroxy-5,5,8,8,13,18-hexamethyl-4,6,10-trioxahexacyclo[15.2.1.01,14.03,7.07,12.09,11]icosan-2-one.
Chemical Property Profile of 5,6-O-Isopropylidene-7-ketolyoniol-B
Property Insights of 5,6-O-Isopropylidene-7-ketolyoniol-B
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-O-Isopropylidene-7-ketolyoniol-B. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-O-Isopropylidene-7-ketolyoniol-B. Following Lipinski's Rule of Five, 5,6-O-Isopropylidene-7-ketolyoniol-B has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6-O-Isopropylidene-7-ketolyoniol-B?
The CAS number of 5,6-O-Isopropylidene-7-ketolyoniol-B is 40118-17-0.
What is the molecular formula of 5,6-O-Isopropylidene-7-ketolyoniol-B?
The molecular formula of 5,6-O-Isopropylidene-7-ketolyoniol-B is C23H34O6.
What is the molecular weight of 5,6-O-Isopropylidene-7-ketolyoniol-B?
The molecular weight of 5,6-O-Isopropylidene-7-ketolyoniol-B is 406.24 g/mol.
Where can I buy 5,6-O-Isopropylidene-7-ketolyoniol-B?
You can request a quote for 5,6-O-Isopropylidene-7-ketolyoniol-B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-O-Isopropylidene-7-ketolyoniol-B?
Yes, KEHONG BIO provides custom synthesis services for 5,6-O-Isopropylidene-7-ketolyoniol-B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.