Chem
J-GLOBAL ID:200907086769611764   Nikkaji number:J1.625.874A

(1S)-1α-Hydroxy-6α-acetoxy-6,10-dimethyl-5β,12β-epoxy-1,2,4aα,5,6,7,8,11,12,12aα-decahydrobenzocyclodecene-2-one

(1S)-1α-ヒドロキシ-6α-アセトキシ-6,10-ジメチル-5β,12β-エポキシ-1,2,4aα,5,6,7,8,11,12,12aα-デカヒドロベンゾシクロデセン-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: C18H24O5
Molecular formula furigana: C18-H24-O5
Molecular weight: 320.385
InChI: InChI=1S/C18H24O5/c1-10-5-4-8-18(3,23-11(2)19)17-12-6-7-13(20)16(21)15(12)14(9-10)22-17/h5-7,12,14-17,21H,4,8-9H2,1-3H3/t12-,14-,15+,16-,17-,18-/m1/s1
InChI key: JZBCFXBIXKQJNI-NPFDDYGESA-N
SMILES: CC(=O)O[C@]1(C)CCC=C(C)C[C@H]2O[C@@H]1[C@@H]1C=CC(=O)[C@@H](O)[C@H]21
Systematic name  (3):
  • (1S)-1α-ヒドロキシ-6α-アセトキシ-6,10-ジメチル-5β,12β-エポキシ-1,2,4aα,5,6,7,8,11,12,12aα-デカヒドロベンゾシクロデセン-2-オン
  • (1R,2R,3S,7R,8R,9R)-3-ヒドロキシ-9,13-ジメチル-4-オキソ-15-オキサトリシクロ[6.6.1.02,7]ペンタデカ-5,12-ジエン-9-イル アセタート
  • (1R,2R,3S,7R,8R,9R)-3-hydroxy-9,13-dimethyl-4-oxo-15-oxatricyclo[6.6.1.02,7]pentadeca-5,12-dien-9-yl acetate
Other name (1):
  • (1S)-1α-Hydroxy-6α-acetoxy-6,10-dimethyl-5β,12β-epoxy-1,2,4aα,5,6,7,8,11,12,12aα-decahydrobenzocyclodecene-2-one
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