Chem
J-GLOBAL ID：200907042767353167   Nikkaji number：J868.213E

Nakamurol B

ナカムロールB
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： C20H32O2
Molecular formula furigana： C20-H32-O2
Molecular weight： 304.474
InChI： InChI=1S/C20H32O2/c1-7-18(4,22)10-11-20(6)14(2)8-9-19(5)15(3)12-16(21)13-17(19)20/h7,12,14,17,22H,1,8-11,13H2,2-6H3/t14-,17+,18?,19+,20-/m1/s1
InChI key： KARUSPOBGJZEMI-QVEJWLIKSA-N
SMILES： C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
Systematic name  (3)：
  • (4aR)-4,4aβ,7β,8-テトラメチル-8β-(3-メチル-3-ヒドロキシ-4-ペンテニル)-4a,5,6,7,8,8aα-ヘキサヒドロナフタレン-2(1H)-オン
  • (4aR,7R,8R,8aR)-8-(3-ヒドロキシ-3-メチルペンタ-4-エン-1-イル)-4,4a,7,8-テトラメチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-2-オン
  • (4aR,7R,8R,8aR)-8-(3-hydroxy-3-methylpent-4-en-1-yl)-4,4a,7,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one
Other name (3)：
  • ナカムロールB
  • Nakamurol B
  • (4aR)-4,4aβ,7β,8-Tetramethyl-8β-(3-methyl-3-hydroxy-4-pentenyl)-4a,5,6,7,8,8aα-hexahydronaphthalen-2(1H)-one
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