Chem
J-GLOBAL ID：200907084450065110   Nikkaji number：J779.792C

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

(4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-6,12-ジヒドロキシ-2,2,4a,6a,12b-ペンタメチル-9-(ピリジン-3-イル)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-ドデカヒドロ-2H,11H-ピラノ[4′,3′-2,3]クロメノ[6,5-f][1,3]ベンゾジオキシン-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： C28H35NO7
Molecular formula furigana： C28-H35-N-O7
Molecular weight： 497.588
InChI： InChI=1S/C28H35NO7/c1-25(2)33-14-27(4)18-12-19(30)28(5)23(26(18,3)9-8-20(27)36-25)22(31)21-17(35-28)11-16(34-24(21)32)15-7-6-10-29-13-15/h6-7,10-11,13,18-20,22-23,30-31H,8-9,12,14H2,1-5H3/t18-,19+,20+,22+,23-,26+,27+,28-/m1/s1
InChI key： DIIHXVXQXHPHFA-OMBYHQMSSA-N
SMILES： CC1(C)OC[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  (4)：
  • 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-2,2,4aα,6aα,12bα-ペンタメチル-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
  • (4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-6,12-ジヒドロキシ-2,2,4a,6a,12b-ペンタメチル-9-(3-ピリジル)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-ドデカヒドロ-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,20S)-3,12-ジヒドロキシ-1,11,15,18,18-ペンタメチル-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-オン
  • (1S,2S,3R,11S,12S,14R,15R,20S)-3,12-dihydroxy-1,11,15,18,18-pentamethyl-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 (3)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2,2,4aα,6aα,12bα-pentamethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
  • (4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-6,12-Dihydroxy-2,2,4a,6a,12b-pentamethyl-9-(3-pyridyl)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-dodecahydro-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysene-11-one
  • (4aR,4bR,6S,6aS,12R,12aS,12bS,14aS)-6,12-ジヒドロキシ-2,2,4a,6a,12b-ペンタメチル-9-(ピリジン-3-イル)-4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-ドデカヒドロ-2H,11H-ピラノ[4′,3′-2,3]クロメノ[6,5-f][1,3]ベンゾジオキシン-11-オン
Regulation number (1)：
  • 8-(5)-396
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