![6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione structure](/static/products/907/90790-03-7.png)
6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione
TL;DR: 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione (CAS 90790-03-7) is a chemical compound with molecular formula C29H38O9 and molecular weight 530.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione
Also Known As: 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione
| Molecular Formula | C29H38O9 |
|---|---|
| Molecular Weight | 530.25 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 530.2516 |
| Heavy Atoms | 38 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 90790-03-7 |
|---|---|
| SMILES | CC1=CC2C3(CC1)COC(=O)C=C(C(COC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)C |
| InChIKey | XHEPXCWCOGMKMI-UHFFFAOYSA-N |
Product Overview
6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione (CAS 90790-03-7), with molecular formula C29H38O9 and molecular weight 530.25 g/mol. IUPAC: 14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione.
Chemical Property Profile of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione
Property Insights of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione. Following Lipinski's Rule of Five, 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione?
The CAS number of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione is 90790-03-7.
What is the molecular formula of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione?
The molecular formula of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione is C29H38O9.
What is the molecular weight of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione?
The molecular weight of 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione is 530.25 g/mol.
Where can I buy 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione?
You can request a quote for 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-9-(1-hydroxyethyl)-5,16a,21-trimethyl-6,7,16,16a,22,23-hexahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.