Chem
J-GLOBAL ID：200907025180298978   Nikkaji number：J15.721J

Grayanotoxin II

グラヤノトキシンII
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： C20H32O5
Molecular formula furigana： C20-H32-O5
Molecular weight： 352.471
InChI： InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16+,18+,19-,20-/m0/s1
InChI key： KEOQZUCOGXIEQR-LXFHFZRZSA-N
SMILES： C[C@@]1(O)C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)C(=C)[C@@H]2CC[C@@H]1[C@H]3O
Systematic name  (3)：
  • (14R)-グラヤノトキサ-10(20)-エン-3β,5,6β,14,16-ペンタオール
  • (1S,3R,4R,6S,8S,10S,13R,14R,16R)-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-3,4,6,14,16-ペンタオール
  • (1S,3R,4R,6S,8S,10S,13R,14R,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol
Other name (4)：
  • グラヤノトキシンII
  • Grayanotoxin II
  • (14R)-Grayanotox-10(20)-ene-3β,5,6β,14,16-pentol
  • GTX-II
CAS registry number： 4678-44-8
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