Chem
J-GLOBAL ID：200907054771346173   Nikkaji number：J1.602.422H

(3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6β-(β-D-xylopyranosyloxy)-9α-hydroxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-8-methanol

(3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6β-(β-D-キシロピラノシルオキシ)-9α-ヒドロキシ-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン-8-メタノール
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： C25H40O7
Molecular formula furigana： C25-H40-O7
Molecular weight： 452.588
InChI： InChI=1S/C25H40O7/c1-13(2)15-5-6-24(3)7-8-25(4)16(20(15)24)10-17(27)14(11-26)9-19(25)32-23-22(30)21(29)18(28)12-31-23/h9,13,16-19,21-23,26-30H,5-8,10-12H2,1-4H3/t16-,17-,18-,19+,21+,22-,23+,24-,25-/m1/s1
InChI key： DANRHHRUHQHHCC-BMMRGBERSA-N
SMILES： CC(C)C1=C2[C@H]3C[C@@H](O)C(=C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1)CO
Systematic name  (3)：
  • (3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6β-(β-D-キシロピラノシルオキシ)-9α-ヒドロキシ-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン-8-メタノール
  • (2S,3R,4S,5R)-2-{[(3aR,5aR,6S,9R,10aR)-9-ヒドロキシ-8-(ヒドロキシメチル)-3a,5a-ジメチル-1-(プロパン-2-イル)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-シクロヘプタ[e]インデン-6-イル]オキシ}オキサン-3,4,5-トリオール
  • (2S,3R,4S,5R)-2-{[(3aR,5aR,6S,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]inden-6-yl]oxy}oxane-3,4,5-triol
Other name (1)：
  • (3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6β-(β-D-xylopyranosyloxy)-9α-hydroxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-8-methanol
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