Chem
J-GLOBAL ID：200907007173389803   Nikkaji number：J739.085H

Spinosyn B

スピノシンB
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： C40H63NO10
Molecular formula furigana： C40-H63-N-O10
Molecular weight： 717.941
InChI： InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1
InChI key： VESRDXZDAAOUHS-KXRJSVEISA-N
SMILES： CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC
Systematic name  (4)：
  • 1α,2β-[(R)-2-(2-O,3-O,4-O-トリメチル-α-L-ラムノピラノシルオキシ)プロパン-1,3-ジイル]-8β-エチル-12α-[(5α-メチルアミノ-6β-メチルテトラヒドロ-2H-ピラン)-2β-イルオキシ]-13β-メチル-1,2,4aα,4bβ,8,9,10,11,12,13-デカヒドロ-7-オキサ-7H-シクロドデカ[a]インデン-6,14(5H,15aαH)-ジオン
  • 1α,2β-[(R)-2-(2-O,3-O,4-O-トリメチル-α-L-ラムノピラノシルオキシ)プロパン-1,3-ジイル]-8β-エチル-12α-[[5α-(メチルアミノ)-6β-メチルテトラヒドロ-2H-ピラン]-2β-イルオキシ]-13β-メチル-1,2,4aα,4bβ,8,9,10,11,12,13-デカヒドロ-7-オキサ-7H-シクロドデカ[a]インデン-6,14(5H,15aαH)-ジオン
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-エチル-14-メチル-13-{[(2R,5S,6R)-6-メチル-5-(メチルアミノ)オキサン-2-イル]オキシ}-2-{[(2R,3R,4R,5S,6S)-3,4,5-トリメトキシ-6-メチルオキサン-2-イル]オキシ}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-インダセノ[3,2-d]オキサシクロドデカン-7,15-ジオン
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-14-methyl-13-{[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
Other name (6)：
  • スピノシンB
  • (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2-[(6-デオキシ-2-O,3-O,4-O-トリメチル-α-L-マンノピラノシル)オキシ]-9-エチル-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-テトラデカヒドロ-14-メチル-13-[[[(2R,5S,6R)-テトラヒドロ-6-メチル-5-(メチルアミノ)-2H-ピラン]-2-イル]オキシ]-1H-as-インダセノ[3,2-d]オキサシクロドデシン-7,15-ジオン
  • Spinosyn B
  • A-83543B
  • 1α,2β-[(R)-2-(2-O,3-O,4-O-Trimethyl-α-L-rhamnopyranosyloxy)propane-1,3-diyl]-8β-ethyl-12α-[(5α-methylamino-6β-methyltetrahydro-2H-pyran)-2β-yloxy]-13β-methyl-1,2,4aα,4bβ,8,9,10,11,12,13-decahydro-7-oxa-7H-cyclododeca[a]indene-6,14(5H,15aαH)-dione
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CAS registry number： 131929-61-8
KEGG COMPOUND： C11055
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