Chem
J-GLOBAL ID：200907073356097898   Nikkaji number：J2.361.486C

(1R)-1β,3α-Dimethyl-4β,5,9-trihydroxy-4aβ,5β-[oxy[(1R,3R)-1,3-dimethyl-4,9-dihydroxy-5,10-dioxo-3,4-dihydro-1H-naphtho[2,3-c]pyran-7,6-diyl]]-7-[(4-bromobenzyl)oxy]-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-4,9-ジヒドロキシ-5,10-ジオキソ-3,4-ジヒドロ-1H-ナフト[2,3-c]ピラン-7,6-ジイル]]-7-[(4-ブロモベンジル)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： C37H33BrO12
Molecular formula furigana： C37-H33-BR-O12
Molecular weight： 749.563
InChI： InChI=1S/C37H33BrO12/c1-13-24-28(31(41)15(3)48-13)33(43)27-26(32(24)42)22(40)11-23-30(27)36(46)20-9-19(47-12-17-5-7-18(38)8-6-17)10-21(39)25(20)34(44)29-14(2)49-16(4)35(45)37(29,36)50-23/h5-11,13-16,29,31,35,39-41,45-46H,12H2,1-4H3/t13-,14-,15-,16-,29-,31?,35-,36+,37+/m1/s1
InChI key： SPKFOVFCTYLCHD-IXQMRSMTSA-N
SMILES： C[C@H]1O[C@H](C)C2=C(C1O)C(=O)c1c3c(O[C@]45[C@H](O)[C@@H](C)O[C@H](C)[C@@H]4C(=O)c4c(O)cc(OCc6ccc(Br)cc6)cc4[C@]35O)cc(O)c1C2=O
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-4,9-ジヒドロキシ-5,10-ジオキソ-3,4-ジヒドロ-1H-ナフト[2,3-c]ピラン-7,6-ジイル]]-7-[(4-ブロモベンジル)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)-20-[(4-ブロモフェニル)メトキシ]-5,12,17,22,29-ペンタヒドロキシ-9,11,26,28-テトラメチル-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-7,14,24-トリオン
  • (1S,9R,11R,17S,25S,26R,28R,29R)-20-[(4-bromophenyl)methoxy]-5,12,17,22,29-pentahydroxy-9,11,26,28-tetramethyl-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-heptaene-7,14,24-trione
Other name (1)：
  • (1R)-1β,3α-Dimethyl-4β,5,9-trihydroxy-4aβ,5β-[oxy[(1R,3R)-1,3-dimethyl-4,9-dihydroxy-5,10-dioxo-3,4-dihydro-1H-naphtho[2,3-c]pyran-7,6-diyl]]-7-[(4-bromobenzyl)oxy]-3,4,4a,5,10,10aα-hexahydro-1H-naphtho[2,3-c]pyran-10-one
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