Chem
J-GLOBAL ID：200907095132491411   Nikkaji number：J440.005D

Isograyanotoxin II

イソグラヤノトキシン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/h12-16,21-25H,5-9H2,1-4H3/t12-,13+,14+,15-,16-,18-,19+,20+/m1/s1
InChI key： LLNZGRNLXLQFAC-KLKQSVAXSA-N
SMILES： CC1=C2CC[C@@H]3[C@@H](O)[C@]2(C[C@@]3(C)O)C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C
Systematic name  (3)：
  • (14R)-グラヤノトキサ-9-エン-3β,5,6β,14,16-ペンタオール
  • (1S,3R,4R,6S,8S,13R,14R,16R)-5,5,9,14-テトラメチルテトラシクロ[11.2.1.01,10.04,8]ヘキサデカ-9-エン-3,4,6,14,16-ペンタオール
  • (1S,3R,4R,6S,8S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-9-ene-3,4,6,14,16-pentol
Other name (3)：
  • イソグラヤノトキシンII
  • Isograyanotoxin II
  • (14R)-Grayanotox-9-ene-3β,5,6β,14,16-pentol
Thsaurus map：
Thesaurus Map

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