Chem
J-GLOBAL ID：200907090293474027   Nikkaji number：J1.869.647I

(14R)-Grayanotoxa-10(20)-ene-3β,5,6β,9,14,16-hexol 3,6,14,16-tetraacetate

(14R)-グラヤノトキサ-10(20)-エン-3β,5,6β,9,14,16-ヘキサオール3,6,14,16-テトラアセタート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H40O10
Molecular formula furigana： C28-H40-O10
Molecular weight： 536.618
InChI： InChI=1S/C28H40O10/c1-14-20-11-21(35-15(2)29)24(6,7)28(20,34)22(36-16(3)30)12-26-13-25(8,38-18(5)32)19(9-10-27(14,26)33)23(26)37-17(4)31/h19-23,33-34H,1,9-13H2,2-8H3/t19-,20+,21+,22-,23-,25-,26-,27-,28+/m1/s1
InChI key： DUGSLLYWWJMFRP-BXUDQXIPSA-N
SMILES： CC(=O)O[C@H]1C[C@H]2C(=C)[C@]3(O)CC[C@@H]4[C@@H](OC(=O)C)[C@]3(C[C@@]4(C)OC(=O)C)C[C@@H](OC(=O)C)[C@]2(O)C1(C)C
Systematic name  (3)：
  • (14R)-グラヤノトキサ-10(20)-エン-3β,5,6β,9,14,16-ヘキサオール3,6,14,16-テトラアセタート
  • (1R,3R,4R,6S,8S,10R,13R,14R,16R)-3,14,16-トリス(アセチルオキシ)-4,10-ジヒドロキシ-5,5,14-トリメチル-9-メチリデンテトラシクロ[11.2.1.01,10.04,8]ヘキサデカン-6-イル アセタート
  • (1R,3R,4R,6S,8S,10R,13R,14R,16R)-3,14,16-tris(acetyloxy)-4,10-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecan-6-yl acetate
Other name (1)：
  • (14R)-Grayanotoxa-10(20)-ene-3β,5,6β,9,14,16-hexol 3,6,14,16-tetraacetate
Thsaurus map：
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