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151519-46-9 | 2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 6-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-3-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
CAS No: 151519-46-9 Catalog No: AG001NEH MDL No:
Product Description
Catalog Number:
AG001NEH
Chemical Name:
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 6-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-3-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
CAS Number:
151519-46-9
Molecular Formula:
C33H41NO10
Molecular Weight:
611.6793
IUPAC Name:
[(1S,2S,5S,6R,7R,9S,10S,18R)-9-acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate
InChI:
InChI=1S/C32H39NO10/c1-17(34)39-15-21-9-10-30(4)24(31(21,5)16-40-18(2)35)13-25(41-19(3)36)32(6)28(30)27(37)26-23(43-32)12-22(42-29(26)38)20-8-7-11-33-14-20/h7-8,11-12,14,21,24-25,27-28,37H,9-10,13,15-16H2,1-6H3/t21-,24-,25+,27+,28-,30+,31+,32-/m1/s1
InChI Key:
NYQIGAQKWWREPH-MQMUQTNESA-N
SMILES:
CCC(=O)OC[C@H]1CC[C@]2([C@H]([C@@]1(C)COC(=O)C)C[C@@H]([C@@]1([C@@H]2[C@@H](O)c2c(=O)oc(cc2O1)c1cccnc1)C)OC(=O)C)C
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
597.257g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
597.661g/mol
Monoisotopic Mass:
597.257g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Pyripyropenes, fungal sesquiterpenes conjugated with alpha-pyrone and pyridine moieties, exhibits anti-angiogenic activity against human umbilical vein endothelial cells. | Biological & pharmaceutical bulletin 20090701 |
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