Chem
J-GLOBAL ID：200907035024728488   Nikkaji number：J506.049D

Deacetylsalannin

デアセチルサランニン
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： C32H42O8
Molecular formula furigana： C32-H42-O8
Molecular weight： 554.680
InChI： InChI=1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20-,21-,22-,23+,26-,27+,28-,30-,31+,32-/m1/s1
InChI key： MJNRBOGIPLCVIM-LJEOTECVSA-N
SMILES： COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(=C23)C)c2ccoc2)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3O)OC(=O)/C(=C/C)/C
Systematic name  (4)：
  • (2aR)-8α-(3-フリル)-2a,4,5,5a,6,6a,8,9,9aα,10aβ,10bβ,10cα-ドデカヒドロ-3α-ヒドロキシ-2aβ,5aβ,6aβ,7-テトラメチル-5α-[[(E)-2-メチル-1-オキソ-2-ブテニル]オキシ]-2H,3H-シクロペンタ[d′]ナフト[1,8-bc:2,3-b′]ジフラン-6β-酢酸メチル
  • (2aR)-3α-ヒドロキシ-8α-(3-フリル)-2a,4,5,5a,6,6a,8,9,9aα,10aβ,10bβ,10cα-ドデカヒドロ-2aβ,5aβ,6aβ,7-テトラメチル-5α-[[(E)-2-メチル-1-オキソ-2-ブテニル]オキシ]-2H,3H-シクロペンタ[d′]ナフト[1,8-bc:2,3-b′]ジフラン-6β-酢酸メチル
  • (1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(フラン-3-イル)-14-ヒドロキシ-10-(2-メトキシ-2-オキソエチル)-7,9,11,15-テトラメチル-3,17-ジオキサペンタシクロ[9.6.1.02,9.04,8.015,18]オクタデカ-7-エン-12-イル (2E)-2-メチルブタ-2-エノアート
  • (1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl (2E)-2-methylbut-2-enoate
Other name (7)：
  • デアセチルサランニン
  • Deacetylsalannin
  • (2aR)-8α-(3-Furyl)-2a,4,5,5a,6,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-3α-hydroxy-2aβ,5aβ,6aβ,7-tetramethyl-5α-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]-2H,3H-cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6β-acetic acid methyl ester
  • (2aR)-3α-Hydroxy-8α-(3-furyl)-3,4,5,5a,6,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-2aβ,5aβ,6aβ,7-tetramethyl-5α-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]-2H-cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6β-acetic acid methyl ester
  • (2aR)-3α-Hydroxy-8α-(3-furyl)-2a,4,5,5a,6,6a,8,9,9aα,10aβ,10bβ,10cα-dodecahydro-2aβ,5aβ,6aβ,7-tetramethyl-5α-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]-2H,3H-cyclopenta[d′]naphtho[1,8-bc:2,3-b′]difuran-6β-acetic acid methyl ester
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CAS registry number： 1110-56-1
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