Chem
J-GLOBAL ID：200907095536231480   Nikkaji number：J1.836.624J

Blazeispirol Z1

ブラゼイスピロールZ1
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： C28H40O5
Molecular formula furigana： C28-H40-O5
Molecular weight： 456.623
InChI： InChI=1S/C28H40O5/c1-16(29)10-13-25(6)20-11-14-26(7)19-12-15-27(26,21(20)8-9-22(25)30)33-28(17(19)2)23(31)18(3)24(4,5)32-28/h8-9,17-19,23,31H,10-15H2,1-7H3/t17-,18-,19+,23+,25+,26+,27-,28-/m0/s1
InChI key： JASZNDQUKJVDQJ-NAKLDNGTSA-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)CCC1=C3C=CC(=O)[C@]1(C)CCC(=O)C
Systematic name  (3)：
  • (2S)-3,4,4a,5,6,7,8,10b-オクタヒドロ-3β,4′α,4aα,5′,5′,7α-ヘキサメチル-3′α-ヒドロキシ-7-(3-オキソブチル)-4β,10bβ-エタノスピロ[2H-ナフト[1,2-b]ピラン-2,2′-オキソラン]-8-オン
  • (1'R,2S,3R,4S,6'R,10'R,11'R,12'S)-3-ヒドロキシ-4,5,5,6',10',12'-ヘキサメチル-6'-(3-オキソブチル)-14'-オキサスピロ[オキソラン-2,13'-テトラシクロ[9.3.2.01,10.02,7]ヘキサデカン]-2'(7'),3'-ジエン-5'-オン
  • (1'R,2S,3R,4S,6'R,10'R,11'R,12'S)-3-hydroxy-4,5,5,6',10',12'-hexamethyl-6'-(3-oxobutyl)-14'-oxaspiro[oxolane-2,13'-tetracyclo[9.3.2.01,10.02,7]hexadecane]-2'(7'),3'-dien-5'-one
Other name (3)：
  • (2S)-3,4,4a,5,6,7,8,10b-Octahydro-3β,4′α,4aα,5′,5′,7α-hexamethyl-3′α-hydroxy-7-(3-oxobutyl)-4β,10bβ-ethanospiro[2H-naphtho[1,2-b]pyran-2,2′-oxolane]-8-one
  • ブラゼイスピロールZ1
  • Blazeispirol Z1
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