Chem
J-GLOBAL ID：200907036190703139   Nikkaji number：J18.720H

Cinnzeylanol

シンゼイラノール
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： C20H32O7
Molecular formula furigana： C20-H32-O7
Molecular weight： 384.469
InChI： InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1
InChI key： TVHZPQAYPSOHQT-AEOFTGFYSA-N
SMILES： CC(C)[C@@]1(O)C[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C
Systematic name  (3)：
  • 3-デオキシリアノドール
  • (1R,2R,3S,6S,7R,9S,10S,11S,13R,14R)-3,7,10-トリメチル-11-(プロパン-2-イル)-15-オキサペンタシクロ[7.5.1.01,6.07,13.010,14]ペンタデカン-2,6,9,11,13,14-ヘキサオール
  • (1R,2R,3S,6S,7R,9S,10S,11S,13R,14R)-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecane-2,6,9,11,13,14-hexol
Other name (3)：
  • シンゼイラノール
  • Cinnzeylanol
  • 3-Deoxyryanodol
CAS registry number： 62394-04-1
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