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126189-95-5 | 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR)-
CAS No: 126189-95-5 Catalog No: AG000S3G MDL No:
Product Description
Catalog Number:
AG000S3G
Chemical Name:
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR)-
CAS Number:
126189-95-5
Molecular Formula:
C15H24O4
Molecular Weight:
268.3487
IUPAC Name:
(4S,8S,12R)-4,8,12-trimethyl-3,14,15-trioxatricyclo[8.5.0.01,6]pentadec-10-en-4-ol
InChI:
InChI=1S/C15H24O4/c1-10-4-12-6-11(2)8-18-19-15(12)9-17-14(3,16)7-13(15)5-10/h6,10-11,13,16H,4-5,7-9H2,1-3H3/t10-,11-,13?,14+,15?/m1/s1
InChI Key:
NFHMBUNSGVNWDK-LMXFHCPWSA-N
SMILES:
C[C@@H]1CC[C@@H]2[C@@]34[C@H]1CC[C@@](OO3)(O[C@H]4OC[C@@H]2C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
268.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.353g/mol
Monoisotopic Mass:
268.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Dihydroartemisinin inhibits the human erythroid cell differentiation by altering the cell cycle. | Toxicology 20121009 |
| Discovery of artemisinin-glycolipid hybrids as anti-oral cancer agents. | Chemical & pharmaceutical bulletin 20110101 |
| Antiangiogenic activity of deoxoartemisinin derivatives on chorioallantoic membrane. | Bioorganic & medicinal chemistry letters 20060301 |
| Synthesis of 12-deuterated and tritiated deoxoartemisinins. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20050301 |
| Hydroxylation of 10-deoxoartemisinin by Cunninghamella elegans. | Journal of natural products 20040901 |
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