Chem
J-GLOBAL ID：200907060004275015   Nikkaji number：J1.950.701G

Dumsin

ダムシン
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： C35H46O11
Molecular formula furigana： C35-H46-O11
Molecular weight： 642.742
InChI： InChI=1S/C35H46O11/c1-17(2)13-26(39)44-24-15-22-30(5,6)46-35(40)23(38)9-11-33(22,35)28-27(42-18(3)36)29(43-19(4)37)31(7)21(20-10-12-41-16-20)14-25-34(31,45-25)32(24,28)8/h10,12,16-17,21-22,24-25,27-29,40H,9,11,13-15H2,1-8H3/t21-,22-,24+,25+,27+,28-,29-,31+,32+,33+,34+,35+/m0/s1
InChI key： HOLPFNXDZFODER-HPKUSWPVSA-N
SMILES： CC(C)CC(=O)O[C@@H]1C[C@H]2C(C)(C)O[C@]3(O)C(=O)CC[C@]23[C@H]2[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]3(C)[C@@H](C[C@H]4O[C@@]34[C@]12C)c1ccoc1
Systematic name  (3)：
  • 3-メチル酪酸(5aα,8bα)-1α-(3-フリル)-3β,3aβ-エポキシ-3bβ,6,6,10aα-テトラメチル-8-ヒドロキシ-9β,10α-ジアセトキシ-8α,8aα-(1-オキソプロパン-1,3-ジイル)テトラデカヒドロ-1H-7-オキサジシクロペンタ[a,f]ナフタレン-4α-イル
  • (1S,2S,6S,9R,11R,12S,13S,15R,17S,18R,19R,20R)-19,20-ビス(アセチルオキシ)-17-(フラン-3-イル)-6-ヒドロキシ-8,8,12,18-テトラメチル-5-オキソ-7,14-ジオキサヘキサシクロ[10.8.0.02,6.02,9.013,15.013,18]イコサン-11-イル 3-メチルブタノアート
  • (1S,2S,6S,9R,11R,12S,13S,15R,17S,18R,19R,20R)-19,20-bis(acetyloxy)-17-(furan-3-yl)-6-hydroxy-8,8,12,18-tetramethyl-5-oxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-11-yl 3-methylbutanoate
Other name (3)：
  • 3-Methylbutyric acid (5aα,8bα)-1α-(3-furyl)-3β,3aβ-epoxy-3bβ,6,6,10aα-tetramethyl-8-hydroxy-9β,10α-diacetoxy-8α,8aα-(1-oxopropane-1,3-diyl)tetradecahydro-1H-7-oxadicyclopenta[a,f]naphthalene-4α-yl ester
  • Dumsin
  • ダムシン
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