Chem
J-GLOBAL ID：200907085198758359   Nikkaji number：J1.869.645B

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

(14R,9S)-グラヤノトキサ-10(20)-エン-3β,5,6β,9,14,16-ヘキサオール
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： C20H32O6
Molecular formula furigana： C20-H32-O6
Molecular weight： 368.470
InChI： InChI=1S/C20H32O6/c1-10-12-7-13(21)16(2,3)20(12,26)14(22)8-18-9-17(4,24)11(15(18)23)5-6-19(10,18)25/h11-15,21-26H,1,5-9H2,2-4H3/t11-,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1
InChI key： YPBCVQCSCGTZRI-UWRKIHAJSA-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@@]2(O)CC[C@@H]1[C@H]3O
Systematic name  (3)：
  • (14R,9S)-グラヤノトキサ-10(20)-エン-3β,5,6β,9,14,16-ヘキサオール
  • (1R,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-3,4,6,10,14,16-ヘキサオール
  • (1R,3R,4R,6S,8S,10S,13R,14R,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,10,14,16-hexol
Other name (1)：
  • (14R,9S)-Grayanotoxa-10(20)-ene-3β,5,6β,9,14,16-hexol
Thsaurus map：
Thesaurus Map

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