Chem
J-GLOBAL ID：200907072580543996   Nikkaji number：J1.836.625H

Blazeispirol U

ブラゼイスピロールU
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： C28H36O4
Molecular formula furigana： C28-H36-O4
Molecular weight： 436.592
InChI： InChI=1S/C28H36O4/c1-16-20-11-14-27(32-28(16)23(30)17(2)24(3,4)31-28)22-8-7-18-15-19(29)9-12-25(18,5)21(22)10-13-26(20,27)6/h7-8,10,13,15-17,20,23,30H,9,11-12,14H2,1-6H3/t16-,17-,20+,23+,25-,26+,27-,28-/m0/s1
InChI key： YOKQBCLMOKKBED-AJZAVILDSA-N
SMILES： C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=CC1=C3C=CC2=CC(=O)CC[C@]12C
Systematic name  (3)：
  • (2S,3S)-1,2,4a,8,9,10,10a,12a-オクタヒドロ-3′α-ヒドロキシ-2α,4′α,5′,5′,10aβ,12aβ-ヘキサメチル-1α,4aα-エタノスピロ[3H-フェナントロ[1,2-b]ピラン-3,2′-オキソラン]-8-オン
  • (1'R,2S,3R,4S,10'S,14'R,15'R,16'S)-3-ヒドロキシ-4,5,5,10',14',16'-ヘキサメチル-18'-オキサスピロ[オキソラン-2,17'-ペンタシクロ[13.3.2.01,14.02,11.05,10]イコサン]-2'(11'),3',5',12'-テトラエン-7'-オン
  • (1'R,2S,3R,4S,10'S,14'R,15'R,16'S)-3-hydroxy-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.01,14.02,11.05,10]icosane]-2'(11'),3',5',12'-tetraen-7'-one
Other name (3)：
  • (2S,3S)-1,2,4a,8,9,10,10a,12a-Octahydro-3′α-hydroxy-2α,4′α,5′,5′,10aβ,12aβ-hexamethyl-1α,4aα-ethanospiro[3H-phenanthro[1,2-b]pyran-3,2′-oxolane]-8-one
  • ブラゼイスピロールU
  • Blazeispirol U
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