Chem
J-GLOBAL ID:200907026379436209   Nikkaji number:J972.114B

(2E,4E,8Z)-2,4,8-Tetradecatrienoic acid [[(4R)-1-(acetoxymethyl)-4α-acetoxy-8α-(hydroxymethyl)-4,4aα,6,7,7aβ,8,8aβ,8bα-octahydrospiro[5H-cyclopropa[3,4]cyclohepta[1,2-c]pyran-5,2′-oxirane]]-8-yl]methyl ester

(2E,4E,8Z)-2,4,8-テトラデカトリエン酸[[(4R)-1-(アセトキシメチル)-4α-アセトキシ-8α-(ヒドロキシメチル)-4,4aα,6,7,7aβ,8,8aβ,8bα-オクタヒドロスピロ[5H-シクロプロパ[3,4]シクロヘプタ[1,2-c]ピラン-5,2′-オキシラン]]-8-イル]メチル
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: C33H46O9
Molecular formula furigana: C33-H46-O9
Molecular weight: 586.722
InChI: InChI=1S/C33H46O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-27(37)40-21-32(20-34)26-16-17-33(22-41-33)30-28(29(26)32)25(18-38-23(2)35)19-39-31(30)42-24(3)36/h8-9,12-15,19,26,28-31,34H,4-7,10-11,16-18,20-22H2,1-3H3/b9-8-,13-12+,15-14+/t26-,28+,29-,30-,31+,32+,33?/m0/s1
InChI key: CZVGOOFLFOGCTP-QOBJHODMSA-N
SMILES: CCCCC/C=C\CC/C=C/C=C/C(=O)OC[C@]1(CO)[C@H]2CCC3(CO3)[C@@H]3[C@@H](OC(=O)C)OC=C(COC(=O)C)[C@@H]3[C@@H]12
Systematic name  (3):
  • (2E,4E,8Z)-2,4,8-テトラデカトリエン酸[[(4R)-1-(アセトキシメチル)-4α-アセトキシ-8α-(ヒドロキシメチル)-4,4aα,6,7,7aβ,8,8aβ,8bα-オクタヒドロスピロ[5H-シクロプロパ[3,4]シクロヘプタ[1,2-c]ピラン-5,2′-オキシラン]]-8-イル]メチル
  • [(1'R,2'S,3'R,4'S,8'R,9'R)-9'-(アセチルオキシ)-12'-[(アセチルオキシ)メチル]-3'-(ヒドロキシメチル)-10'-オキサスピロ[オキシラン-2,7'-トリシクロ[6.4.0.02,4]ドデカン]-11'-エン-3'-イル]メチル (2E,4E,8Z)-テトラデカ-2,4,8-トリエノアート
  • [(1'R,2'S,3'R,4'S,8'R,9'R)-9'-(acetyloxy)-12'-[(acetyloxy)methyl]-3'-(hydroxymethyl)-10'-oxaspiro[oxirane-2,7'-tricyclo[6.4.0.02,4]dodecan]-11'-en-3'-yl]methyl (2E,4E,8Z)-tetradeca-2,4,8-trienoate
Other name (1):
  • (2E,4E,8Z)-2,4,8-Tetradecatrienoic acid [[(4R)-1-(acetoxymethyl)-4α-acetoxy-8α-(hydroxymethyl)-4,4aα,6,7,7aβ,8,8aβ,8bα-octahydrospiro[5H-cyclopropa[3,4]cyclohepta[1,2-c]pyran-5,2′-oxirane]]-8-yl]methyl ester
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