Chem
J-GLOBAL ID：200907050846461202   Nikkaji number：J779.795H

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

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-2α-イソプロピル-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-11-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： C29H37NO7
Molecular formula furigana： C29-H37-N-O7
Molecular weight： 511.615
InChI： InChI=1S/C29H37NO7/c1-15(2)26-34-14-28(4)19-12-20(31)29(5)24(27(19,3)9-8-21(28)36-26)23(32)22-18(37-29)11-17(35-25(22)33)16-7-6-10-30-13-16/h6-7,10-11,13,15,19-21,23-24,26,31-32H,8-9,12,14H2,1-5H3/t19-,20+,21+,23+,24-,26-,27+,28+,29-/m1/s1
InChI key： XGMVSZFAVZKLPG-PNPQSLGNSA-N
SMILES： CC(C)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](O)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)c2cccnc2)O1
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-2α-イソプロピル-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-11-オン
  • (1S,2S,3R,11S,12S,14R,15R,18R,20S)-3,12-ジヒドロキシ-1,11,15-トリメチル-18-(プロパン-2-イル)-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-オン
  • (1S,2S,3R,11S,12S,14R,15R,18R,20S)-3,12-dihydroxy-1,11,15-trimethyl-18-(propan-2-yl)-7-(pyridin-3-yl)-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-5-one
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-isopropyl-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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