Chem
J-GLOBAL ID:200907032964782325
Nikkaji number:J779.807E
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-(4-nitrophenyl)-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-(4-ニトロフェニル)-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
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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:
C32 H34 N[N+]O8 [O-]
Molecular formula furigana:
C32-H34-N2-O9
Molecular weight:
590.629
InChI:
InChI=1S/C32H34N2O9/c1-30-11-10-24-31(2,16-40-29(42-24)17-6-8-19(9-7-17)34(38)39)22(30)14-23(35)32(3)27(30)26(36)25-21(43-32)13-20(41-28(25)37)18-5-4-12-33-15-18/h4-9,12-13,15,22-24,26-27,29,35-36H,10-11,14,16H2,1-3H3/t22-,23+,24+,26+,27-,29-,30+,31+,32-/m1/s1
InChI key:
MWDSEAOTUZNWPU-HNFQKFOASA-N
SMILES:
C[C@@]12CO[C@H](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)c1ccc(cc1)[N+](=O)[O-]
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-(4-ニトロフェニル)-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-(4-ニトロフェニル)-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-(4-nitrophenyl)-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-(4-nitrophenyl)-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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