Chem
J-GLOBAL ID：200907087240086407   Nikkaji number：J16.356B

Salannin

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： C34H44O9
Molecular formula furigana： C34-H44-O9
Molecular weight： 596.717
InChI： InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1
InChI key： CJHBVBNPNXOWBA-REXVOHEDSA-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]3OC(=O)C)OC(=O)/C(=C/C)/C
Systematic name  (3)：
  • (2aR)-3α-アセトキシ-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)-14-(アセチルオキシ)-6-(フラン-3-イル)-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)-14-(acetyloxy)-6-(furan-3-yl)-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 (3)：
  • サランニン
  • Salannin
  • (2aR)-3α-Acetoxy-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
CAS registry number： 992-20-1
KEGG COMPOUND： C08780
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