Chem
J-GLOBAL ID：200907070807259626   Nikkaji number：J1.319.068B

(3S)-3α,6α-Dioctadecanoyl-4β-(octadecanoyloxymethyl)-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-11-one

(3S)-3α,6α-ジオクタデカノイル-4β-(オクタデカノイルオキシメチル)-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-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： C79H133NO8
Molecular formula furigana： C79-H133-N-O8
Molecular weight： 1224.932
InChI： InChI=1S/C79H133NO8/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-54-67(81)65-57-58-77(4)71(78(65,5)63-86-72(83)56-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3)60-66(68(82)55-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)79(6)75(77)74(84)73-70(88-79)61-69(87-76(73)85)64-53-52-59-80-62-64/h52-53,59,61-62,65-66,71,74-75,84H,7-51,54-58,60,63H2,1-6H3/t65-,66-,71-,74+,75-,77+,78-,79-/m1/s1
InChI key： WKTJYMCCFXQDFM-JGPNKZTASA-N
SMILES： CCCCCCCCCCCCCCCCCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](C(=O)CCCCCCCCCCCCCCCCC)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)c1cccnc1)C(=O)CCCCCCCCCCCCCCCCC
Systematic name  (3)：
  • (3S)-3α,6α-ジオクタデカノイル-4β-(オクタデカノイルオキシメチル)-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-11-オン
  • [(5aS,6S,7aR,8S,9S,11aS,11bS,12R)-12-ヒドロキシ-5a,8,11a-トリメチル-6,9-ジオクタデカノイル-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-8-イル]メチル オクタデカノアート
  • [(5aS,6S,7aR,8S,9S,11aS,11bS,12R)-12-hydroxy-5a,8,11a-trimethyl-6,9-dioctadecanoyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl octadecanoate
Other name (1)：
  • (3S)-3α,6α-Dioctadecanoyl-4β-(octadecanoyloxymethyl)-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-11-one
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM