Chem
J-GLOBAL ID:201307059153007621   Nikkaji number:J3.205.111A

(4aR)-4aβ-[(αR)-α-(Methoxymethoxy)-2-methoxybenzyl]-2,3,4,4a,5,6,7,8-octahydronaphthalene-2,3-diol

(4aR)-4aβ-[(αR)-α-(メトキシメトキシ)-2-メトキシベンジル]-2,3,4,4a,5,6,7,8-オクタヒドロナフタレン-2,3-ジオール
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: C20H28O5
Molecular formula furigana: C20-H28-O5
Molecular weight: 348.439
InChI: InChI=1S/C20H28O5/c1-23-13-25-19(15-8-3-4-9-18(15)24-2)20-10-6-5-7-14(20)11-16(21)17(22)12-20/h3-4,8-9,11,16-17,19,21-22H,5-7,10,12-13H2,1-2H3/t16?,17?,19-,20+/m0/s1
InChI key: WBFSWDIHNIQIIS-ZYKFHVCXSA-N
SMILES: COCO[C@@H](c1ccccc1OC)[C@@]12CCCCC1=CC(O)C(O)C2
Systematic name  (3):
  • (4aR)-4aβ-[(αR)-α-(メトキシメトキシ)-2-メトキシベンジル]-2,3,4,4a,5,6,7,8-オクタヒドロナフタレン-2,3-ジオール
  • (8aR)-8a-[(R)-(メトキシメトキシ)(2-メトキシフェニル)メチル]-1,2,3,5,6,7,8,8a-オクタヒドロナフタレン-2,3-ジオール
  • (8aR)-8a-[(R)-(methoxymethoxy)(2-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydronaphthalene-2,3-diol
Other name (1):
  • (4aR)-4aβ-[(αR)-α-(Methoxymethoxy)-2-methoxybenzyl]-2,3,4,4a,5,6,7,8-octahydronaphthalene-2,3-diol
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