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Ginkgolide J
Phân loại: Reagent
Tính chất: EP
Thương hiệu: Angene
| CAS Number | 107438-79-9 |
| Catalog Number | AG0084P7(AGN-PC-0OX937) |
| Chemical Name | Ginkgolide J |
| IUPAC Name | (1R,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione |
| InChI | InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17?,18+,19-,20-/m1/s1 |
| InChI Key | LMEHVEUFNRJAAV-XNSMQBOTSA-N |
| MDL Number | MFCD03093737 |
| Molecular Formula | C20H24O10 |
| Molecular Weight | 424.3986 |
| SMILES | O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O |
| Synonyms |
(1R,4aR,5R,7aS,9S,10R,11S)-11-tert-butyl-1,4b,10-trihydroxy-5-methyltetrahydro-4bH,9H-9,4a-(epoxymethano)cyclopenta(c)furo(2,3-b)furo(3',2':3,4)cyclopenta(1,2-d)furan-2,6,13(1H,5H)-trione, BN 52024, BN-52024, ginkgolide J, ginkgolide J dihydrate, Ginkgolide J, 107438-79-9, Ginkgolide J;, Ginkgolic Acid C13:0;, 7beta-Hydroxyginkgolide A;, CTK8F0384, AKOS025311464, RTR-031688, TR-031688, V0722, 438G799, Q-100047, 7beta-Hydroxyginkgolide A, UNII-M5297RI2UE, C20H24O10, BN 52024, BN-52024, |
CHI TIẾT :
| Complexity | 925 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 424.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.402g/mol |
| Monoisotopic Mass | 424.137g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
| Hazard statements | |
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| Siginal words |