Chem
J-GLOBAL ID：200907019188546156   Nikkaji number：J1.900.789H

2-(Methylamino)benzoic acid [[(1aR)-9aα-(acetyloxy)-1aα,1bβ,4,4aβ,5,7aα,7b,8,9,9a-decahydro-7bα-hydroxy-1,1,3,6,8α-pentamethyl-5-oxo-1H-cyclopropa[3,4]benzo[1,2-e]azulene]-9β-yl] ester

12-(2-N-メチルアミノベンゾイル)-4β,5,20-トリデオキシホルボール-13-アセタート
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： C30H37NO6
Molecular formula furigana： C30-H37-N-O6
Molecular weight： 507.627
InChI： InChI=1S/C30H37NO6/c1-15-12-20-21(14-16(2)24(20)33)29(35)17(3)26(36-27(34)19-10-8-9-11-23(19)31-7)30(37-18(4)32)25(22(29)13-15)28(30,5)6/h8-11,13-14,17,20-22,25-26,31,35H,12H2,1-7H3/t17-,20+,21-,22+,25-,26-,29+,30-/m1/s1
InChI key： RVVIYIWBNNSAIQ-KRLXVYJHSA-N
SMILES： CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)C)C
Systematic name  (3)：
  • 2-(メチルアミノ)安息香酸[[(1aR)-9aα-(アセチルオキシ)-1aα,1bβ,4,4aβ,5,7aα,7b,8,9,9a-デカヒドロ-7bα-ヒドロキシ-1,1,3,6,8α-ペンタメチル-5-オキソ-1H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン]-9β-イル]
  • (1R,2R,6S,10S,11R,13S,14R,15R)-13-(アセチルオキシ)-1-ヒドロキシ-4,8,12,12,15-ペンタメチル-5-オキソテトラシクロ[8.5.0.02,6.011,13]ペンタデカ-3,8-ジエン-14-イル 2-(メチルアミノ)ベンゾアート
  • (1R,2R,6S,10S,11R,13S,14R,15R)-13-(acetyloxy)-1-hydroxy-4,8,12,12,15-pentamethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-14-yl 2-(methylamino)benzoate
Other name (2)：
  • 2-(Methylamino)benzoic acid [[(1aR)-9aα-(acetyloxy)-1aα,1bβ,4,4aβ,5,7aα,7b,8,9,9a-decahydro-7bα-hydroxy-1,1,3,6,8α-pentamethyl-5-oxo-1H-cyclopropa[3,4]benzo[1,2-e]azulene]-9β-yl] ester
  • 12-(2-N-メチルアミノベンゾイル)-4β,5,20-トリデオキシホルボール-13-アセタート
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