Chem
J-GLOBAL ID:200907067094400853   Nikkaji number:J1.072.428G

(4aR)-8-Methoxy-2,3,4,4aα,5,10,11,11aβ-octahydrospiro[1H-dibenzo[a,d]cycloheptene-1,2′-[1,3]dioxolane]-5-one

(4aR)-8-メトキシ-2,3,4,4aα,5,10,11,11aβ-オクタヒドロスピロ[1H-ジベンゾ[a,d]シクロヘプテン-1,2′-[1,3]ジオキソラン]-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: C18H22O4
Molecular formula furigana: C18-H22-O4
Molecular weight: 302.370
InChI: InChI=1S/C18H22O4/c1-20-13-5-6-14-12(11-13)4-7-16-15(17(14)19)3-2-8-18(16)21-9-10-22-18/h5-6,11,15-16H,2-4,7-10H2,1H3/t15-,16+/m1/s1
InChI key: MYVKHMAECFCIHW-CVEARBPZSA-N
SMILES: COc1ccc2c(CC[C@H]3[C@@H](CCCC43OCCO4)C2=O)c1
Systematic name  (4):
  • (4aR)-8-メトキシ-2,3,4,4aα,5,10,11,11aβ-オクタヒドロスピロ[1H-ジベンゾ[a,d]シクロヘプテン-1,2′-[1,3]ジオキソラン]-5-オン
  • (4aR)-8-メトキシ-3,4,4aα,10,11,11aβ-ヘキサヒドロスピロ[5H-ジベンゾ[a,d]シクロヘプテン-1(2H),2′-[1,3]ジオキソラン]-5-オン
  • (3'R,8'S)-13'-メトキシスピロ[1,3-ジオキソラン-2,7'-トリシクロ[9.4.0.03,8]ペンタデカン]-1'(15'),11',13'-トリエン-2'-オン
  • (3'R,8'S)-13'-methoxyspiro[1,3-dioxolane-2,7'-tricyclo[9.4.0.03,8]pentadecane]-1'(15'),11',13'-trien-2'-one
Other name (2):
  • (4aR)-8-Methoxy-2,3,4,4aα,5,10,11,11aβ-octahydrospiro[1H-dibenzo[a,d]cycloheptene-1,2′-[1,3]dioxolane]-5-one
  • (4aR)-8-Methoxy-3,4,4aα,10,11,11aβ-hexahydrospiro[5H-dibenzo[a,d]cycloheptene-1(2H),2′-[1,3]dioxolane]-5-one
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