6-Hydroxysandoricin
TL;DR: 6-Hydroxysandoricin (CAS 133585-56-5) is a chemical compound with molecular formula C31H40O12 and molecular weight 604.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
Also Known As: 6-Hydroxysandoricin, Sandoricin, 6-hydroxy-, methyl 2-[5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate, 4-(Furan-3-yl)-1-hydroxy-8-(1-hydroxy-2-methoxy-2-oxoethyl)-4a,7a,9,9-tetramethyl-13-methylidene-2-oxododecahydro-4H-7,12a-methanopyrano[4,3-b][1]benzoxocine-5,10-diyl diacetate, D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 3,12-bis(acetyloxy)-1,14:21,23-diepoxy-6,15-dihydroxy-4,4-dimethyl-16-oxo-, methyl ester, (1alpha,3beta,5beta,6R,12alpha,13alpha,14beta,15beta,17aalpha)-
| Molecular Formula | C31H40O12 |
|---|---|
| Molecular Weight | 604.25 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 604.25195 |
| Heavy Atoms | 43 |
| Complexity | 1210.0 |
| Melting Point | 250 - 255 °C |
Chemical Identifiers
| CAS Number | 133585-56-5 |
|---|---|
| SMILES | CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)C(C(=O)OC)O)C |
| InChIKey | NKHYHRMLCJNKHW-UHFFFAOYSA-N |
Product Overview
6-Hydroxysandoricin (CAS 133585-56-5), with molecular formula C31H40O12 and molecular weight 604.25 g/mol. IUPAC: methyl 2-[5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate.
Chemical Property Profile of 6-Hydroxysandoricin
Property Insights of 6-Hydroxysandoricin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxysandoricin. The TPSA of 168.0 Ų indicates high polarity, suggesting 6-Hydroxysandoricin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Hydroxysandoricin has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Hydroxysandoricin?
The CAS number of 6-Hydroxysandoricin is 133585-56-5.
What is the molecular formula of 6-Hydroxysandoricin?
The molecular formula of 6-Hydroxysandoricin is C31H40O12.
What is the molecular weight of 6-Hydroxysandoricin?
The molecular weight of 6-Hydroxysandoricin is 604.25 g/mol.
Where can I buy 6-Hydroxysandoricin?
You can request a quote for 6-Hydroxysandoricin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxysandoricin?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxysandoricin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.