Chem
J-GLOBAL ID：201407035667550562   Nikkaji number：J3.220.736G

Pentanoic acid (3S)-3α,4β-[oxy[(R)-propane-1,1-diyl]oxymethylene]-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-6α-yl ester

ペンタン酸(3S)-3α,4β-[オキシ[(R)-プロパン-1,1-ジイル]オキシメチレン]-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-6α-イル
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： C33H43NO8
Molecular formula furigana： C33-H43-N-O8
Molecular weight： 581.706
InChI： InChI=1S/C33H43NO8/c1-6-8-11-25(35)40-24-16-22-31(3,13-12-23-32(22,4)18-38-26(7-2)41-23)29-28(36)27-21(42-33(24,29)5)15-20(39-30(27)37)19-10-9-14-34-17-19/h9-10,14-15,17,22-24,26,28-29,36H,6-8,11-13,16,18H2,1-5H3/t22-,23+,24+,26-,28+,29-,31+,32+,33-/m1/s1
InChI key： XJORXRHSYYSLHH-BQVSTSHWSA-N
SMILES： CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](CC)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)c1cccnc1
Systematic name  (3)：
  • ペンタン酸(3S)-3α,4β-[オキシ[(R)-プロパン-1,1-ジイル]オキシメチレン]-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-12α-ヒドロキシ-4,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-6α-イル
  • (1S,2S,3R,11S,12S,14R,15R,18R,20S)-18-エチル-3-ヒドロキシ-1,11,15-トリメチル-5-オキソ-7-(ピリジン-3-イル)-6,10,17,19-テトラオキサペンタシクロ[12.8.0.02,11.04,9.015,20]ドコサ-4(9),7-ジエン-12-イル ペンタノアート
  • (1S,2S,3R,11S,12S,14R,15R,18R,20S)-18-ethyl-3-hydroxy-1,11,15-trimethyl-5-oxo-7-(pyridin-3-yl)-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-12-yl pentanoate
Other name (1)：
  • Pentanoic acid (3S)-3α,4β-[oxy[(R)-propane-1,1-diyl]oxymethylene]-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-12α-hydroxy-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-6α-yl ester
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