Chem
J-GLOBAL ID：200907083096724937   Nikkaji number：J696.163K

2-[[[(3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]thio]acetic acid

2-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-10β-イル]チオ]酢酸
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： C17H26O6S
Molecular formula furigana： C17-H26-O6-S
Molecular weight： 358.450
InChI： InChI=1S/C17H26O6S/c1-9-4-5-12-10(2)14(24-8-13(18)19)20-15-17(12)11(9)6-7-16(3,21-15)22-23-17/h9-12,14-15H,4-8H2,1-3H3,(H,18,19)/t9-,10-,11+,12+,14-,15-,16-,17-/m1/s1
InChI key： MBLCCFFNSZOEPX-WHAXNQHKSA-N
SMILES： C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4)SCC(=O)O
Systematic name  (3)：
  • 2-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-10β-イル]チオ]酢酸
  • 2-{[(1R,4S,5R,8S,9R,10R,12S,13R)-1,5,9-トリメチル-11,14,15,16-テトラオキサテトラシクロ[10.3.1.04,13.08,13]ヘキサデカン-10-イル]スルファニル}酢酸
  • 2-{[(1R,4S,5R,8S,9R,10R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]sulfanyl}acetic acid
Other name (1)：
  • 2-[[[(3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]thio]acetic acid
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