Chem
J-GLOBAL ID：200907028545683859   Nikkaji number：J696.164I

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

3-[[[(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]プロピオン酸
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： C18H28O6S
Molecular formula furigana： C18-H28-O6-S
Molecular weight： 372.480
InChI： InChI=1S/C18H28O6S/c1-10-4-5-13-11(2)15(25-9-7-14(19)20)21-16-18(13)12(10)6-8-17(3,22-16)23-24-18/h10-13,15-16H,4-9H2,1-3H3,(H,19,20)/t10-,11-,12+,13+,15-,16-,17-,18-/m1/s1
InChI key： KMCCQMXMJWEXKI-IZHZTTKVSA-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)SCCC(=O)O
Systematic name  (3)：
  • 3-[[[(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]プロピオン酸
  • 3-{[(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}プロパン酸
  • 3-{[(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}propanoic acid
Other name (1)：
  • 3-[[[(3R,5aα,8aα,12aR)-Decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]thio]propionic acid
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