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151519-44-7 | 2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3,6-bis(acetyloxy)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-4-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
CAS No: 151519-44-7 Catalog No: AG001NEJ MDL No:
Product Description
Catalog Number:
AG001NEJ
Chemical Name:
2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 3,6-bis(acetyloxy)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-4-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
CAS Number:
151519-44-7
Molecular Formula:
C32H39NO10
Molecular Weight:
597.6528
IUPAC Name:
(5,9-diacetyloxy-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-6-yl)methyl propanoate
InChI:
InChI=1S/C32H39NO10/c1-7-25(36)39-16-31(5)22-14-24(41-18(3)35)32(6)28(30(22,4)11-10-23(31)40-17(2)34)27(37)26-21(43-32)13-20(42-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3
InChI Key:
HQJYCJFUVSNJFK-UHFFFAOYSA-N
SMILES:
CCC(=O)OC[C@]1(C)[C@H](CC[C@]2([C@H]1C[C@H](OC(=O)C)[C@@]1([C@@H]2[C@@H](O)c2c(O1)cc(oc2=O)c1cccnc1)C)C)OC(=O)C
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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