Chem
J-GLOBAL ID:200907064469352593
Nikkaji number:J18.274E
Ineketone
イネケトン
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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:
C20 H30 O3
Molecular formula furigana:
C20-H30-O3
Molecular weight:
318.457
InChI:
InChI=1S/C20H30O3/c1-6-18(4)10-13-14(21)11-20(23)15(8-7-9-17(20,2)3)19(13,5)16(22)12-18/h6,10,15-16,22-23H,1,7-9,11-12H2,2-5H3/t15-,16-,18-,19+,20+/m0/s1
InChI key:
BWRPYSJNBVBIRP-FLFBIERCSA-N
SMILES:
CC1(C)CCC[C@H]2[C@]3(C)[C@@H](O)C[C@@](C)(C=C)C=C3C(=O)C[C@]12O
Systematic name (3):
(4aS)-2,3,4,4aα,4b,5,6,7,10,10a-デカヒドロ-5β,10aβ-ジヒドロキシ-1,1,4bβ,7-テトラメチル-7β-ビニルフェナントレン-9(1H)-オン
(4aS,4bS,5S,7S,10aR)-7-エテニル-5,10a-ジヒドロキシ-1,1,4b,7-テトラメチル-1,2,3,4,4a,4b,5,6,7,9,10,10a-ドデカヒドロフェナントレン-9-オン
(4aS,4bS,5S,7S,10aR)-7-ethenyl-5,10a-dihydroxy-1,1,4b,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-9-one
Other name (3):
イネケトン
Ineketone
(4aS)-2,3,4,4aα,4b,5,6,7,10,10a-Decahydro-5β,10aβ-dihydroxy-1,1,4bβ,7-tetramethyl-7β-vinylphenanthren-9(1H)-one
CAS registry number:
62574-18-9
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