Chem
J-GLOBAL ID：200907005864662490   Nikkaji number：J2.155.553C

[1,2,3,4,4aα,5,6,8a-Octahydro-4α-[(Z)-5-hydroxy-3-(hydroxymethyl)-3-pentenyl]-3β,4,8,8aβ-tetramethylnaphthalene-1β-yl]β-D-glucopyranoside

[1,2,3,4,4aα,5,6,8a-オクタヒドロ-4α-[(Z)-5-ヒドロキシ-3-(ヒドロキシメチル)-3-ペンテニル]-3β,4,8,8aβ-テトラメチルナフタレン-1β-イル]β-D-グルコピラノシド
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： C26H44O8
Molecular formula furigana： C26-H44-O8
Molecular weight： 484.630
InChI： InChI=1S/C26H44O8/c1-15-6-5-7-19-25(3,10-8-17(13-28)9-11-27)16(2)12-20(26(15,19)4)34-24-23(32)22(31)21(30)18(14-29)33-24/h6,9,16,18-24,27-32H,5,7-8,10-14H2,1-4H3/b17-9-/t16-,18-,19-,20+,21-,22+,23-,24+,25+,26+/m1/s1
InChI key： IPBQETGWAMMJLT-RNUWJPKDSA-N
SMILES： C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC/C(=C/CO)/CO
Systematic name  (3)：
  • [1,2,3,4,4aα,5,6,8a-オクタヒドロ-4α-[(Z)-5-ヒドロキシ-3-(ヒドロキシメチル)-3-ペンテニル]-3β,4,8,8aβ-テトラメチルナフタレン-1β-イル]β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(1S,3R,4S,4aR,8aR)-4-[(3Z)-5-ヒドロキシ-3-(ヒドロキシメチル)ペンタ-3-エン-1-イル]-3,4,8,8a-テトラメチル-1,2,3,4,4a,5,6,8a-オクタヒドロナフタレン-1-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1S,3R,4S,4aR,8aR)-4-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • [1,2,3,4,4aα,5,6,8a-Octahydro-4α-[(Z)-5-hydroxy-3-(hydroxymethyl)-3-pentenyl]-3β,4,8,8aβ-tetramethylnaphthalene-1β-yl]β-D-glucopyranoside
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