Chem
J-GLOBAL ID：200907061236015148   Nikkaji number：J779.819I

4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-12α-hydroxy-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-(ペンタノイルオキシ)-12α-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： C35H45NO8
Molecular formula furigana： C35-H45-N-O8
Molecular weight： 607.744
InChI： InChI=1S/C35H45NO8/c1-5-6-11-27(37)42-26-18-24-32(2,15-12-25-33(24,3)20-40-35(44-25)13-7-8-14-35)30-29(38)28-23(43-34(26,30)4)17-22(41-31(28)39)21-10-9-16-36-19-21/h9-10,16-17,19,24-26,29-30,38H,5-8,11-15,18,20H2,1-4H3/t24-,25+,26+,29+,30-,32+,33+,34-/m1/s1
InChI key： STSCCGRHQGBCKA-ASSJIDJBSA-N
SMILES： CCCCC(=O)O[C@H]1C[C@@H]2[C@](C)(CC[C@@H]3OC4(CCCC4)OC[C@@]23C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)c1cccnc1
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-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'-ヒドロキシ-1',11',15'-トリメチル-5'-オキソ-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-12'-イル ペンタノアート
  • (1'S,2'S,3'R,11'S,12'S,14'R,15'R,20'S)-3'-hydroxy-1',11',15'-trimethyl-5'-oxo-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-12'-yl pentanoate
Other name (1)：
  • 4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α-(pentanoyloxy)-12α-hydroxy-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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