Chem
J-GLOBAL ID：200907080370622640   Nikkaji number：J2.361.485E

(1R)-1β,3α-Dimethyl-4β,5,9-trihydroxy-4aβ,5β-[oxy[(1R,3R)-1,3-dimethyl-5,10-dioxo-9-hydroxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-7,6-diyl]]-7-[[(S)-1-(1-naphthyl)ethyl]carbamoyloxy]-3,4,4a,5,10,10aα-hexahydro-1H-naphtho[2,3-c]pyran-10-one

(1R)-1β,3α-ジメチル-4β,5,9-トリヒドロキシ-4aβ,5β-[オキシ[(1R,3R)-1,3-ジメチル-5,10-ジオキソ-9-ヒドロキシ-3,4-ジヒドロ-1H-ナフト[2,3-c]ピラン-7,6-ジイル]]-7-[[(S)-1-(1-ナフチル)エチル]カルバモイルオキシ]-3,4,4a,5,10,10aα-ヘキサヒドロ-1H-ナフト[2,3-c]ピラン-10-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： C43H39NO12
Molecular formula furigana： C43-H39-N-O12
Molecular weight： 761.780
InChI： InChI=1S/C43H39NO12/c1-17-13-26-31(19(3)53-17)38(48)33-29(46)16-30-36(34(33)37(26)47)42(52)27-14-23(55-41(51)44-18(2)24-12-8-10-22-9-6-7-11-25(22)24)15-28(45)32(27)39(49)35-20(4)54-21(5)40(50)43(35,42)56-30/h6-12,14-21,35,40,45-46,50,52H,13H2,1-5H3,(H,44,51)/t17-,18+,19-,20-,21-,35-,40-,42+,43+/m1/s1
InChI key： NWPMKKCUBZJNDJ-IDVURZPESA-N
SMILES： C[C@H](NC(=O)Oc1cc(O)c2C(=O)[C@H]3[C@@H](C)O[C@H](C)[C@@H](O)[C@]43Oc3cc(O)c5C(=O)C6=C(C[C@@H](C)O[C@@H]6C)C(=O)c5c3[C@@]4(O)c2c1)c1cccc2ccccc12
Systematic name  (3)：
  • (1R)-1β,3α-ジメチル-4β,5,9-トリヒドロキシ-4aβ,5β-[オキシ[(1R,3R)-1,3-ジメチル-5,10-ジオキソ-9-ヒドロキシ-3,4-ジヒドロ-1H-ナフト[2,3-c]ピラン-7,6-ジイル]]-7-[[(S)-1-(1-ナフチル)エチル]カルバモイルオキシ]-3,4,4a,5,10,10aα-ヘキサヒドロ-1H-ナフト[2,3-c]ピラン-10-オン
  • (1S,9R,11R,17S,25S,26R,28R,29R)-5,17,22,29-テトラヒドロキシ-9,11,26,28-テトラメチル-7,14,24-トリオキソ-2,10,27-トリオキサヘプタシクロ[15.12.0.01,25.03,16.06,15.08,13.018,23]ノナコサ-3,5,8(13),15,18,20,22-ヘプタエン-20-イル N-[(1S)-1-(ナフタレン-1-イル)エチル]カルバマート
  • (1S,9R,11R,17S,25S,26R,28R,29R)-5,17,22,29-tetrahydroxy-9,11,26,28-tetramethyl-7,14,24-trioxo-2,10,27-trioxaheptacyclo[15.12.0.01,25.03,16.06,15.08,13.018,23]nonacosa-3,5,8(13),15,18,20,22-heptaen-20-yl N-[(1S)-1-(naphthalen-1-yl)ethyl]carbamate
Other name (1)：
  • (1R)-1β,3α-Dimethyl-4β,5,9-trihydroxy-4aβ,5β-[oxy[(1R,3R)-1,3-dimethyl-5,10-dioxo-9-hydroxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-7,6-diyl]]-7-[[(S)-1-(1-naphthyl)ethyl]carbamoyloxy]-3,4,4a,5,10,10aα-hexahydro-1H-naphtho[2,3-c]pyran-10-one
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