Chem
J-GLOBAL ID:200907022375849350   Nikkaji number:J1.830.230F

(2E,4S,5S,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,3S,6S,8S,9R)-3-methyl-8-[(1E,3E)-3-methyl-5-oxo-5-methoxy-1,3-pentadienyl]-9-butyl-9-(4-methoxy-1,4-dioxobutoxy)-1,7-dioxaspiro[5.5]undecane-2-yl]-2,6,8-decatrienoic acid methyl ester

(2E,4S,5S,6E,8E)-4,8-ジメチル-5-ヒドロキシ-10-[(2R,3S,6S,8S,9R)-3-メチル-8-[(1E,3E)-3-メチル-5-オキソ-5-メトキシ-1,3-ペンタジエニル]-9-ブチル-9-(4-メトキシ-1,4-ジオキソブトキシ)-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-2,6,8-デカトリエン酸メチル
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: C39H58O11
Molecular formula furigana: C39-H58-O11
Molecular weight: 702.882
InChI: InChI=1S/C39H58O11/c1-9-10-22-38(50-36(43)20-19-35(42)46-7)24-25-39(49-33(38)17-13-28(3)26-37(44)47-8)23-21-30(5)32(48-39)16-12-27(2)11-15-31(40)29(4)14-18-34(41)45-6/h11-15,17-18,26,29-33,40H,9-10,16,19-25H2,1-8H3/b15-11+,17-13+,18-14+,27-12+,28-26+/t29-,30-,31-,32+,33-,38+,39-/m0/s1
InChI key: MYSSTTUCBYAUIV-MDOZOVPWSA-N
SMILES: CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C(=C/C(=O)OC)/C)OC(=O)CCC(=O)OC
Systematic name  (3):
  • (2E,4S,5S,6E,8E)-4,8-ジメチル-5-ヒドロキシ-10-[(2R,3S,6S,8S,9R)-3-メチル-8-[(1E,3E)-3-メチル-5-オキソ-5-メトキシ-1,3-ペンタジエニル]-9-ブチル-9-(4-メトキシ-1,4-ジオキソブトキシ)-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-2,6,8-デカトリエン酸メチル
  • (2S,3R,6S,8R,9S)-3-ブチル-8-[(2E,4E,6S,7S,8E)-6-ヒドロキシ-10-メトキシ-3,7-ジメチル-10-オキソデカ-2,4,8-トリエン-1-イル]-2-[(1E,3E)-5-メトキシ-3-メチル-5-オキソペンタ-1,3-ジエン-1-イル]-9-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-3-イル 1-メチル ブタンジオアート
  • (2S,3R,6S,8R,9S)-3-butyl-8-[(2E,4E,6S,7S,8E)-6-hydroxy-10-methoxy-3,7-dimethyl-10-oxodeca-2,4,8-trien-1-yl]-2-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dien-1-yl]-9-methyl-1,7-dioxaspiro[5.5]undecan-3-yl 1-methyl butanedioate
Other name (1):
  • (2E,4S,5S,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,3S,6S,8S,9R)-3-methyl-8-[(1E,3E)-3-methyl-5-oxo-5-methoxy-1,3-pentadienyl]-9-butyl-9-(4-methoxy-1,4-dioxobutoxy)-1,7-dioxaspiro[5.5]undecane-2-yl]-2,6,8-decatrienoic acid methyl ester
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