Ginkgolide J

Ginkgolide J

Phân loại: Reagent

Tính chất: EP

Thương hiệu: Angene

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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,

: AG0084P7
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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

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