Chem
J-GLOBAL ID:200907027820695840   Nikkaji number:J1.209.549J

(1aR)-9aα-(Butyryloxy)-9β-(3-methyl-2-butenoyloxy)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα-dihydroxy-3-hydroxymethyl-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one

(1aR)-9aα-(ブチリルオキシ)-9β-(3-メチル-2-ブテノイルオキシ)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-デカヒドロ-4aβ,7bα-ジヒドロキシ-3-ヒドロキシメチル-1,1,6,8α-テトラメチル-5H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-5-オン
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: C29H40O8
Molecular formula furigana: C29-H40-O8
Molecular weight: 516.631
InChI: InChI=1S/C29H40O8/c1-8-9-21(31)37-29-23(26(29,6)7)19-12-18(14-30)13-27(34)20(11-16(4)24(27)33)28(19,35)17(5)25(29)36-22(32)10-15(2)3/h10-12,17,19-20,23,25,30,34-35H,8-9,13-14H2,1-7H3/t17-,19+,20-,23-,25-,27-,28-,29-/m1/s1
InChI key: LXOLOXNGYYBBGA-NMHHGJJZSA-N
SMILES: CCCC(=O)O[C@]12[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]3(O)[C@H](C)[C@H]1OC(=O)C=C(C)C)C2(C)C
Systematic name  (3):
  • (1aR)-9aα-(ブチリルオキシ)-9β-(3-メチル-2-ブテノイルオキシ)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-デカヒドロ-4aβ,7bα-ジヒドロキシ-3-ヒドロキシメチル-1,1,6,8α-テトラメチル-5H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-5-オン
  • (1S,2S,6R,10S,11R,13S,14R,15R)-13-(ブタノイルオキシ)-1,6-ジヒドロキシ-8-(ヒドロキシメチル)-4,12,12,15-テトラメチル-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 3-メチルブタ-2-エノアート
  • (1S,2S,6R,10S,11R,13S,14R,15R)-13-(butanoyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-14-yl 3-methylbut-2-enoate
Other name (1):
  • (1aR)-9aα-(Butyryloxy)-9β-(3-methyl-2-butenoyloxy)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα-dihydroxy-3-hydroxymethyl-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one
Thsaurus map:

Return to Previous Page