4-Cyanobenzoic acid (3S)-3α,12α-dihydroxy-4β-(hydroxymethyl)-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-6α-yl ester

4-シアノ安息香酸(3S)-3α,12α-ジヒドロキシ-4β-(ヒドロキシメチル)-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-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

Decided structure
Molecular formula： C₃₃H₃₄N₂O₈
Molecular formula furigana： C33-H34-N2-O8
Molecular weight： 586.641

InChI： InChI=1S/C33H34N2O8/c1-31-11-10-24(37)32(2,17-36)23(31)14-25(42-29(39)19-8-6-18(15-34)7-9-19)33(3)28(31)27(38)26-22(43-33)13-21(41-30(26)40)20-5-4-12-35-16-20/h4-9,12-13,16,23-25,27-28,36-38H,10-11,14,17H2,1-3H3/t23-,24+,25+,27+,28-,31+,32+,33-/m1/s1

InChI key： IIYLPNHIRREHGX-GGOITNCBSA-N

SMILES： C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1

Systematic name (3)：

4-シアノ安息香酸(3S)-3α,12α-ジヒドロキシ-4β-(ヒドロキシメチル)-11-オキソ-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-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
(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9,12-ジヒドロキシ-8-(ヒドロキシメチル)-5a,8,11a-トリメチル-1-オキソ-3-(ピリジン-3-イル)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-ドデカヒドロ-2,5-ジオキサテトラフェン-6-イル 4-シアノベンゾアート
(5aS,6S,7aR,8R,9S,11aS,11bS,12R)-9,12-dihydroxy-8-(hydroxymethyl)-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-6-yl 4-cyanobenzoate

Other name (1)：

4-Cyanobenzoic acid (3S)-3α,12α-dihydroxy-4β-(hydroxymethyl)-11-oxo-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-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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