Chem
J-GLOBAL ID：200907082141551791   Nikkaji number：J203.838B

Territrem B

テリトレムB
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： C29H34O9
Molecular formula furigana： C29-H34-O9
Molecular weight： 526.582
InChI： InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
InChI key： PBXNNDFKPQPJBB-VJLHXPKFSA-N
SMILES： COc1cc(cc(OC)c1OC)c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1
Systematic name  (3)：
  • (4aR)-4a,6,6a,12,12a,12b-ヘキサヒドロ-4aβ,12aβ-ジヒドロキシ-4,4,6aα,12bα-テトラメチル-9-(3,4,5-トリメトキシフェニル)-4H,11H-ナフト[2,1-b]ピラノ[3,4-e]ピラン-1,11(5H)-ジオン
  • (5aR,7aR,11aS,11bS)-7a,11b-ジヒドロキシ-5a,8,8,11a-テトラメチル-3-(3,4,5-トリメトキシフェニル)-1,5a,6,7,7a,8,11,11a,11b,12-デカヒドロ-2,5-ジオキサテトラフェン-1,11-ジオン
  • (5aR,7aR,11aS,11bS)-7a,11b-dihydroxy-5a,8,8,11a-tetramethyl-3-(3,4,5-trimethoxyphenyl)-1,5a,6,7,7a,8,11,11a,11b,12-decahydro-2,5-dioxatetraphene-1,11-dione
Other name (3)：
  • Territrem B
  • テリトレムB
  • (4aR)-4a,6,6a,12,12a,12b-Hexahydro-4aβ,12aβ-dihydroxy-4,4,6aα,12bα-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-1,11(5H)-dione
CAS registry number： 70407-20-4
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