Chem
J-GLOBAL ID：200907069709852434   Nikkaji number：J1.536.684B

(8R)-7-Oxo-8,20-[1-(2,4,5-trimethoxyphenyl)-2-butene-1,4-diyl]-16-hydroxylabdan-15-oic acid 15,16-lactone

(8R)-7-オキソ-8,20-[1-(2,4,5-トリメトキシフェニル)-2-ブテン-1,4-ジイル]-16-ヒドロキシラブダン-15-酸15,16-ラクトン
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： C33H46O6
Molecular formula furigana： C33-H46-O6
Molecular weight： 538.725
InChI： InChI=1S/C33H46O6/c1-31(2)13-9-14-32(3)27(12-11-21-16-30(35)39-20-21)33(29(34)19-28(31)32)15-8-7-10-23(33)22-17-25(37-5)26(38-6)18-24(22)36-4/h7,10,17-18,21,23,27-28H,8-9,11-16,19-20H2,1-6H3/t21-,23?,27+,28-,32+,33-/m0/s1
InChI key： BXJBWEVWQQCGJO-IBJBDYQPSA-N
SMILES： COc1cc(OC)c(cc1OC)C1C=CCC[C@]21[C@H](CC[C@@H]1COC(=O)C1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O
Systematic name  (3)：
  • (8R)-7-オキソ-8,20-[1-(2,4,5-トリメトキシフェニル)-2-ブテン-1,4-ジイル]-16-ヒドロキシラブダン-15-酸15,16-ラクトン
  • (4S)-4-{2-[(1R,1'R,4'aS,8'aS)-5',5',8'a-トリメチル-3'-オキソ-2-(2,4,5-トリメトキシフェニル)-3',4',4'a,5',6',7',8',8'a-オクタヒドロ-1'H-スピロ[シクロヘキサン-1,2'-ナフタレン]-3-エン-1'-イル]エチル}オキソラン-2-オン
  • (4S)-4-{2-[(1R,1'R,4'aS,8'aS)-5',5',8'a-trimethyl-3'-oxo-2-(2,4,5-trimethoxyphenyl)-3',4',4'a,5',6',7',8',8'a-octahydro-1'H-spiro[cyclohexane-1,2'-naphthalen]-3-en-1'-yl]ethyl}oxolan-2-one
Other name (1)：
  • (8R)-7-Oxo-8,20-[1-(2,4,5-trimethoxyphenyl)-2-butene-1,4-diyl]-16-hydroxylabdan-15-oic acid 15,16-lactone
Thsaurus map：
Thesaurus Map

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