Chem
J-GLOBAL ID：200907023879330181   Nikkaji number：J1.869.646K

(14R,9S)-Grayanotoxa-1(10)-ene-3β,5,6β,9,14,16-hexol

(14R,9S)-グラヤノトキサ-1(10)-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/h11,13-15,21-26H,5-9H2,1-4H3/t11-,13+,14-,15-,17-,18-,19+,20+/m1/s1
InChI key： CKLIKFCKEAPQBE-VHGKIUBDSA-N
SMILES： CC1=C2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@]12O)[C@H]3O
Systematic name  (3)：
  • (14R,9S)-グラヤノトキサ-1(10)-エン-3β,5,6β,9,14,16-ヘキサオール
  • (1R,3R,4R,6S,10S,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-8-エン-3,4,6,10,14,16-ヘキサオール
  • (1R,3R,4R,6S,10S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-8-ene-3,4,6,10,14,16-hexol
Other name (1)：
  • (14R,9S)-Grayanotoxa-1(10)-ene-3β,5,6β,9,14,16-hexol
Thsaurus map：
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