Chem
J-GLOBAL ID：200907048377034581   Nikkaji number：J1.319.080A

(3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-Decahydro-3α,12α-dihydroxy-4β-(hydroxymethyl)-6α-(benzoyloxy)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one

(3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,12α-ジヒドロキシ-4β-(ヒドロキシメチル)-6α-(ベンゾイルオキシ)-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-11-オン
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： C32H35NO8
Molecular formula furigana： C32-H35-N-O8
Molecular weight： 561.631
InChI： InChI=1S/C32H35NO8/c1-30-12-11-23(35)31(2,17-34)22(30)15-24(40-28(37)18-8-5-4-6-9-18)32(3)27(30)26(36)25-21(41-32)14-20(39-29(25)38)19-10-7-13-33-16-19/h4-10,13-14,16,22-24,26-27,34-36H,11-12,15,17H2,1-3H3/t22-,23+,24+,26+,27-,30+,31+,32-/m1/s1
InChI key： RKBHARCMAFKDFM-NGMDASHOSA-N
SMILES： C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1
Systematic name  (3)：
  • (3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,12α-ジヒドロキシ-4β-(ヒドロキシメチル)-6α-(ベンゾイルオキシ)-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-11-オン
  • (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 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 benzoate
Other name (1)：
  • (3S)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-Decahydro-3α,12α-dihydroxy-4β-(hydroxymethyl)-6α-(benzoyloxy)-4,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM