Chem
J-GLOBAL ID：200907028553895008   Nikkaji number：J779.810E

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-2,11-dione

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α,12α-ジヒドロキシ-4aα,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-2,11-ジオン
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： C26H29NO8
Molecular formula furigana： C26-H29-N-O8
Molecular weight： 483.517
InChI： InChI=1S/C26H29NO8/c1-24-7-6-18-25(2,12-32-23(31)34-18)16(24)10-17(28)26(3)21(24)20(29)19-15(35-26)9-14(33-22(19)30)13-5-4-8-27-11-13/h4-5,8-9,11,16-18,20-21,28-29H,6-7,10,12H2,1-3H3/t16-,17+,18+,20+,21-,24+,25+,26-/m1/s1
InChI key： ZORDTXGPSOTHED-WLGYRDRHSA-N
SMILES： C[C@@]12COC(=O)O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](O)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)c1cccnc1
Systematic name  (3)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α,12α-ジヒドロキシ-4aα,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-2,11-ジオン
  • (1S,2S,3R,11S,12S,14R,15R,20S)-3,12-ジヒドロキシ-1,11,15-トリメチル-7-(ピリジン-3-イル)-6,10,17,19-テトラオキサペンタシクロ[12.8.0.02,11.04,9.015,20]ドコサ-4(9),7-ジエン-5,18-ジオン
  • (1S,2S,3R,11S,12S,14R,15R,20S)-3,12-dihydroxy-1,11,15-trimethyl-7-(pyridin-3-yl)-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-diene-5,18-dione
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-2,11-dione
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