Chem
J-GLOBAL ID：200907061203555341   Nikkaji number：J779.808C

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′-cyclopentan]-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′-シクロペンタン]-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： C30H37NO7
Molecular formula furigana： C30-H37-N-O7
Molecular weight： 523.626
InChI： InChI=1S/C30H37NO7/c1-27-11-8-22-28(2,16-35-30(38-22)9-4-5-10-30)20(27)14-21(32)29(3)25(27)24(33)23-19(37-29)13-18(36-26(23)34)17-7-6-12-31-15-17/h6-7,12-13,15,20-22,24-25,32-33H,4-5,8-11,14,16H2,1-3H3/t20-,21+,22+,24+,25-,27+,28+,29-/m1/s1
InChI key： QLIJNKDYZXZVNQ-CALNWBCTSA-N
SMILES： C[C@@]12COC3(CCCC3)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′-シクロペンタン]-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[シクロペンタン-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[cyclopentane-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′-cyclopentan]-11-one
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