Chem
J-GLOBAL ID：200907051308352173
Nikkaji number：J1.687.934G
(6aR,6a′R,7S,7′S,8R,8′R,9S,9′S,10S,10′S,10aS,10a′S)-6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-Dodecahydro-1,1′,7,7′,8,8′,9,9′,10,10′,10a,10a′,12,12′-tetradecahydroxy-3,3′,4,4′-tetramethoxy-10,10′-dipropyl-2,2′-binaphthacene-11,11′(10aH,10a′H)-dione
(6aR,6a′R,7S,7′S,8R,8′R,9S,9′S,10S,10′S,10aS,10a′S)-6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-ドデカヒドロ-1,1′,7,7′,8,8′,9,9′,10,10′,10a,10a′,12,12′-テトラデカヒドロキシ-3,3′,4,4′-テトラメトキシ-10,10′-ジプロピル-2,2′-ビナフタセン-11,11′(10aH,10a′H)-ジオン
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
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
Molecular formula： C46H54O20
Molecular formula furigana： C46-H54-O20
Molecular weight： 926.918
InChI：
InChI=1S/C46H54O20/c1-7-9-43(59)41(57)33(53)27(47)19-13-15-11-17-23(29(49)21(15)39(55)45(19,43)61)31(51)25(37(65-5)35(17)63-3)26-32(52)24-18(36(64-4)38(26)66-6)12-16-14-20-28(48)34(54)42(58)44(60,10-8-2)46(20,62)40(56)22(16)30(24)50/h11-12,19-20,27-28,33-34,41-42,47-54,57-62H,7-10,13-14H2,1-6H3/t19-,20-,27+,28+,33-,34-,41+,42+,43+,44+,45-,46-/m1/s1
InChI key：
YHNQIQHEPIAOSQ-IAYBCGMASA-N
SMILES：
CCC[C@]1(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2Cc3cc4c(OC)c(OC)c(c(O)c4c(O)c3C(=O)[C@@]12O)c1c(O)c2c(O)c3C(=O)[C@]4(O)[C@H](Cc3cc2c(OC)c1OC)[C@H](O)[C@@H](O)[C@H](O)[C@@]4(O)CCC
Systematic name (1)：
- (6aR,6a′R,7S,7′S,8R,8′R,9S,9′S,10S,10′S,10aS,10a′S)-6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-ドデカヒドロ-1,1′,7,7′,8,8′,9,9′,10,10′,10a,10a′,12,12′-テトラデカヒドロキシ-3,3′,4,4′-テトラメトキシ-10,10′-ジプロピル-2,2′-ビナフタセン-11,11′(10aH,10a′H)-ジオン
- (6aR,6a′R,7S,7′S,8R,8′R,9S,9′S,10S,10′S,10aS,10a′S)-6,6′,6a,6a′,7,7′,8,8′,9,9′,10,10′-Dodecahydro-1,1′,7,7′,8,8′,9,9′,10,10′,10a,10a′,12,12′-tetradecahydroxy-3,3′,4,4′-tetramethoxy-10,10′-dipropyl-2,2′-binaphthacene-11,11′(10aH,10a′H)-dione
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