Chem
J-GLOBAL ID：200907085935099795   Nikkaji number：J779.809A

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)spiro[1,3,7,10-tetraoxabenzo[b]chrysene-2(11H),1′-cyclohexan]-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-4aα,6aα,12bα-トリメチル-9-(3-ピリジニル)スピロ[1,3,7,10-テトラオキサベンゾ[b]クリセン-2(11H),1′-シクロヘキサン]-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： C31H39NO7
Molecular formula furigana： C31-H39-N-O7
Molecular weight： 537.653
InChI： InChI=1S/C31H39NO7/c1-28-12-9-23-29(2,17-36-31(39-23)10-5-4-6-11-31)21(28)15-22(33)30(3)26(28)25(34)24-20(38-30)14-19(37-27(24)35)18-8-7-13-32-16-18/h7-8,13-14,16,21-23,25-26,33-34H,4-6,9-12,15,17H2,1-3H3/t21-,22+,23+,25+,26-,28+,29+,30-/m1/s1
InChI key： LFNFZTMSKPAYAZ-WPHYFFDCSA-N
SMILES： C[C@@]12COC3(CCCCC3)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)スピロ[1,3,7,10-テトラオキサベンゾ[b]クリセン-2(11H),1′-シクロヘキサン]-11-オン
  • (1'S,2'S,3'R,11'S,12'S,14'R,15'R,20'S)-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'-テトラオキサスピロ[シクロヘキサン-1,18'-ペンタシクロ[12.8.0.02,11.04,9.015,20]ドコサン]-4'(9'),7'-ジエン-5'-オン
  • (1'S,2'S,3'R,11'S,12'S,14'R,15'R,20'S)-3',12'-dihydroxy-1',11',15'-trimethyl-7'-(pyridin-3-yl)-6',10',17',19'-tetraoxaspiro[cyclohexane-1,18'-pentacyclo[12.8.0.02,11.04,9.015,20]docosane]-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-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)spiro[1,3,7,10-tetraoxabenzo[b]chrysene-2(11H),1′-cyclohexan]-11-one
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