Chem
J-GLOBAL ID：200907056359512916   Nikkaji number：J1.529.741G

(5α,10α,12R)-11α-(4-Hydroxyphenyl)-12-(2,4-dihydroxyphenyl)-10,11-dihydro-5,10-methano-5H-dibenzo[a,d]cycloheptene-1,3,6,8-tetrol

(5α,10α,12R)-11α-(4-ヒドロキシフェニル)-12-(2,4-ジヒドロキシフェニル)-10,11-ジヒドロ-5,10-メタノ-5H-ジベンゾ[a,d]シクロヘプテン-1,3,6,8-テトラオール
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： C28H22O7
Molecular formula furigana： C28-H22-O7
Molecular weight： 470.477
InChI： InChI=1S/C28H22O7/c29-13-3-1-12(2-4-13)23-24-18(7-15(31)10-21(24)34)28-25-19(8-16(32)11-22(25)35)27(23)26(28)17-6-5-14(30)9-20(17)33/h1-11,23,26-35H/t23-,26-,27+,28+/m1/s1
InChI key： MIPUQOUHHCMZTE-BVCVKUKASA-N
SMILES： Oc1ccc(cc1)[C@H]1[C@H]2[C@H]([C@H](c3c2cc(O)cc3O)c2cc(O)cc(O)c12)c1ccc(O)cc1O
Systematic name  (3)：
  • (5α,10α,12R)-11α-(4-ヒドロキシフェニル)-12-(2,4-ジヒドロキシフェニル)-10,11-ジヒドロ-5,10-メタノ-5H-ジベンゾ[a,d]シクロヘプテン-1,3,6,8-テトラオール
  • (1S,8R,9R,16R)-16-(2,4-ジヒドロキシフェニル)-8-(4-ヒドロキシフェニル)テトラシクロ[7.6.1.02,7.010,15]ヘキサデカ-2,4,6,10(15),11,13-ヘキサエン-4,6,12,14-テトラオール
  • (1S,8R,9R,16R)-16-(2,4-dihydroxyphenyl)-8-(4-hydroxyphenyl)tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene-4,6,12,14-tetrol
Other name (1)：
  • (5α,10α,12R)-11α-(4-Hydroxyphenyl)-12-(2,4-dihydroxyphenyl)-10,11-dihydro-5,10-methano-5H-dibenzo[a,d]cycloheptene-1,3,6,8-tetrol
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