Chem
J-GLOBAL ID：200907042840972580   Nikkaji number：J779.811C

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-hydroxy-2,2,4aα,6aα,12bα-pentamethyl-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-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
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： C28H35NO6
Molecular formula furigana： C28-H35-N-O6
Molecular weight： 481.589
InChI： InChI=1S/C28H35NO6/c1-25(2)32-15-27(4)20-13-22(30)28(5)21(26(20,3)9-8-23(27)35-25)11-17-19(34-28)12-18(33-24(17)31)16-7-6-10-29-14-16/h6-7,10,12,14,20-23,30H,8-9,11,13,15H2,1-5H3/t20-,21-,22+,23+,26+,27+,28+/m1/s1
InChI key： FWRFFDOOSCFCCG-CSUQKWNNSA-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)c4C[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-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
  • (1S,2R,11S,12S,14R,15R,20S)-12-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,2R,11S,12S,14R,15R,20S)-12-hydroxy-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 (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-hydroxy-2,2,4aα,6aα,12bα-pentamethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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