Chem
J-GLOBAL ID:200907043597412941   Nikkaji number:J2.228.835K

7β,8α,9β,13α-Tetraacetoxy-4β-chloro-1α,8aα-dimethyl-5,12-dimethylene-6β,13aβ-epoxy-1,2,3aα,4,5,6,7,8,8a,9,10,11,12,12aβ,13,13a-hexadecahydrobenzo[4,5]cyclodeca[1,2-b]furan-2-one

7β,8α,9β,13α-テトラアセトキシ-4β-クロロ-1α,8aα-ジメチル-5,12-ジメチレン-6β,13aβ-エポキシ-1,2,3aα,4,5,6,7,8,8a,9,10,11,12,12aβ,13,13a-ヘキサデカヒドロベンゾ[4,5]シクロデカ[1,2-b]フラン-2-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: C28H35ClO11
Molecular formula furigana: C28-H35-CL-O11
Molecular weight: 583.030
InChI: InChI=1S/C28H35ClO11/c1-11-9-10-18(35-14(4)30)27(8)19(11)23(37-16(6)32)28-13(3)26(34)39-24(28)20(29)12(2)21(40-28)22(36-15(5)31)25(27)38-17(7)33/h13,18-25H,1-2,9-10H2,3-8H3/t13?,18-,19+,20-,21+,22+,23-,24-,25-,27-,28+/m0/s1
InChI key: PXWWTSQKNXBHTK-HNHZTZBNSA-N
SMILES: CC1C(=O)O[C@H]2[C@@H](Cl)C(=C)[C@H]3O[C@@]12[C@@H](OC(=O)C)[C@H]1C(=C)CC[C@H](OC(=O)C)[C@]1(C)[C@@H](OC(=O)C)[C@@H]3OC(=O)C
Systematic name  (3):
  • 7β,8α,9β,13α-テトラアセトキシ-4β-クロロ-1α,8aα-ジメチル-5,12-ジメチレン-6β,13aβ-エポキシ-1,2,3aα,4,5,6,7,8,8a,9,10,11,12,12aβ,13,13a-ヘキサデカヒドロベンゾ[4,5]シクロデカ[1,2-b]フラン-2-オン
  • (1R,2S,3S,7S,8R,9R,10R,11R,13S,14R,17S)-7,9,10-トリス(アセチルオキシ)-13-クロロ-8,17-ジメチル-4,12-ジメチリデン-16-オキソ-15,18-ジオキサテトラシクロ[9.6.1.01,14.03,8]オクタデカン-2-イル アセタート
  • (1R,2S,3S,7S,8R,9R,10R,11R,13S,14R,17S)-7,9,10-tris(acetyloxy)-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-2-yl acetate
Other name (1):
  • 7β,8α,9β,13α-Tetraacetoxy-4β-chloro-1α,8aα-dimethyl-5,12-dimethylene-6β,13aβ-epoxy-1,2,3aα,4,5,6,7,8,8a,9,10,11,12,12aβ,13,13a-hexadecahydrobenzo[4,5]cyclodeca[1,2-b]furan-2-one
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