Chem
J-GLOBAL ID：200907060039927902
Nikkaji number：J779.817B
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-12α-hydroxy-2α-phenyl-2,4aα,6aα,12bα-tetramethyl-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-(ペンタノイルオキシ)-12α-ヒドロキシ-2α-フェニル-2,4aα,6aα,12bα-テトラメチル-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 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
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
Molecular formula： C38H45NO8
Molecular formula furigana： C38-H45-N-O8
Molecular weight： 643.777
InChI：
InChI=1S/C38H45NO8/c1-6-7-15-30(40)45-29-20-27-35(2,17-16-28-36(27,3)22-43-38(5,47-28)24-13-9-8-10-14-24)33-32(41)31-26(46-37(29,33)4)19-25(44-34(31)42)23-12-11-18-39-21-23/h8-14,18-19,21,27-29,32-33,41H,6-7,15-17,20,22H2,1-5H3/t27-,28+,29+,32+,33-,35+,36+,37-,38-/m1/s1
InChI key：
BHSVQNRHICENKJ-DZVQWFKYSA-N
SMILES：
CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@](C)(O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)c1cccnc1)c1ccccc1
Systematic name (3)：
- 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α-(ペンタノイルオキシ)-12α-ヒドロキシ-2α-フェニル-2,4aα,6aα,12bα-テトラメチル-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-ヒドロキシ-1,11,15,18-テトラメチル-5-オキソ-18-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-12-イル ペンタノアート
- (1S,2S,3R,11S,12S,14R,15R,18R,20S)-3-hydroxy-1,11,15,18-tetramethyl-5-oxo-18-phenyl-7-(pyridin-3-yl)-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-12-yl pentanoate
- 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-12α-hydroxy-2α-phenyl-2,4aα,6aα,12bα-tetramethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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