Chem
J-GLOBAL ID：200907036682027996   Nikkaji number：J2.738.587G

(7E)-Polymaxenolide

(7E)-ポリマキセノリド
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： C37H48O8
Molecular formula furigana： C37-H48-O8
Molecular weight： 620.783
InChI： InChI=1S/C37H48O8/c1-19(2)22-8-9-25-33(43-21(4)38)31(44-34(25)40)13-20(3)12-29(39)27-17-37(45-30(15-22)32(27)35(41)42-7)11-10-24-26-14-23(26)16-36(5,6)18-28(24)37/h9,12,22-24,26-28,31,33H,1,8,10-11,13-18H2,2-7H3/b20-12+,25-9?/t22-,23-,24+,26-,27-,28+,31+,33-,37-/m0/s1
InChI key： HYDQHICVQQKNLM-FLDMJLHRSA-N
SMILES： COC(=O)C1=C2C[C@H](CC=C3[C@H](OC(=O)C)[C@@H](C/C(=C/C(=O)[C@@H]1C[C@]1(CC[C@@H]4[C@H]5C[C@H]5CC(C)(C)C[C@@H]14)O2)/C)OC3=O)C(=C)C
Systematic name  (3)：
  • (1R,3E,6R,3a′β,8a′α,15S)-2-オキソ-4,7′,7′-トリメチル-6β-ヒドロキシ-7β-アセトキシ-11α-イソプロペニル-17-(メトキシカルボニル)-4′β,5′β-メタノオクタヒドロ-14-オキサスピロ[ビシクロ[11.3.1]ヘプタデカン-15,1′(2′H)-アズレン]-3,8,13(17)-トリエン-8-カルボン酸ラクトン
  • メチル (1'R,1aS,3'E,4aR,5S,6'R,7aR,7bS,12'S,19'S)-19'-(アセチルオキシ)-3,3,4'-トリメチル-2',8'-ジオキソ-12'-(プロパ-1-エン-2-イル)-1,1a,2,3,4,4a,6,7,7a,7b-デカヒドロ-7',15'-ジオキサスピロ[シクロプロパ[e]アズレン-5,16'-トリシクロ[12.3.1.16,9]ノナデカン]-3',9',14'(18')-トリエン-18'-カルボキシラート
  • methyl (1'R,1aS,3'E,4aR,5S,6'R,7aR,7bS,12'S,19'S)-19'-(acetyloxy)-3,3,4'-trimethyl-2',8'-dioxo-12'-(prop-1-en-2-yl)-1,1a,2,3,4,4a,6,7,7a,7b-decahydro-7',15'-dioxaspiro[cyclopropa[e]azulene-5,16'-tricyclo[12.3.1.16,9]nonadecane]-3',9',14'(18')-triene-18'-carboxylate
Other name (3)：
  • (1R,3E,6R,3a′β,8a′α,15S)-2-Oxo-4,7′,7′-trimethyl-6β-hydroxy-7β-acetoxy-11α-isopropenyl-17-(methoxycarbonyl)-4′β,5′β-methanooctahydro-14-oxaspiro[bicyclo[11.3.1]heptadecane-15,1′(2′H)-azulene]-3,8,13(17)-triene-8-carboxylic acid lactone
  • (7E)-ポリマキセノリド
  • (7E)-Polymaxenolide
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