Chem
J-GLOBAL ID:201007024595664206   Nikkaji number:J2.856.694H

(4R)-1,4aβ-Dimethyl-4β-(β-D-glucopyranosyloxy)-7β-(1-methyl-1-hydroxyethyl)-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one

(4R)-1,4aβ-ジメチル-4β-(β-D-グルコピラノシルオキシ)-7β-(1-メチル-1-ヒドロキシエチル)-4,4a,5,6,7,8-ヘキサヒドロナフタレン-2(3H)-オン
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: C21H34O8
Molecular formula furigana: C21-H34-O8
Molecular weight: 414.495
InChI: InChI=1S/C21H34O8/c1-10-12-7-11(20(2,3)27)5-6-21(12,4)15(8-13(10)23)29-19-18(26)17(25)16(24)14(9-22)28-19/h11,14-19,22,24-27H,5-9H2,1-4H3/t11-,14-,15-,16-,17+,18-,19+,21-/m1/s1
InChI key: GNTQYDMQNLYENY-OXVWKNLJSA-N
SMILES: CC1=C2C[C@@H](CC[C@@]2(C)[C@@H](CC1=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O
Systematic name  (3):
  • (4R)-1,4aβ-ジメチル-4β-(β-D-グルコピラノシルオキシ)-7β-(1-メチル-1-ヒドロキシエチル)-4,4a,5,6,7,8-ヘキサヒドロナフタレン-2(3H)-オン
  • (4R,4aR,7R)-7-(2-ヒドロキシプロパン-2-イル)-1,4a-ジメチル-4-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2,3,4,4a,5,6,7,8-オクタヒドロナフタレン-2-オン
  • (4R,4aR,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
Other name (1):
  • (4R)-1,4aβ-Dimethyl-4β-(β-D-glucopyranosyloxy)-7β-(1-methyl-1-hydroxyethyl)-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one
Thsaurus map:

Return to Previous Page