Chem
J-GLOBAL ID：200907017079837342   Nikkaji number：J1.319.078J

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

(3S)-4β-(アセトキシメチル)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,12α-ジヒドロキシ-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： C34H37NO9
Molecular formula furigana： C34-H37-N-O9
Molecular weight： 603.668
InChI： InChI=1S/C34H37NO9/c1-19(36)41-18-33(3)24-16-26(43-30(39)20-9-6-5-7-10-20)34(4)29(32(24,2)13-12-25(33)37)28(38)27-23(44-34)15-22(42-31(27)40)21-11-8-14-35-17-21/h5-11,14-15,17,24-26,28-29,37-38H,12-13,16,18H2,1-4H3/t24-,25+,26+,28+,29-,32+,33+,34-/m1/s1
InChI key： AKHIRCVBLYBLMA-SZGSXWAKSA-N
SMILES： CC(=O)OC[C@]1(C)[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)-4β-(アセトキシメチル)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-デカヒドロ-3α,12α-ジヒドロキシ-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)-8-[(アセチルオキシ)メチル]-9,12-ジヒドロキシ-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)-8-[(acetyloxy)methyl]-9,12-dihydroxy-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)-4β-(Acetoxymethyl)-1,3,4,4aβ,5,6,6a,12,12aβ,12b-decahydro-3α,12α-dihydroxy-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