Chem
J-GLOBAL ID：200907023879923115   Nikkaji number：J1.350.892E

Blazeispirol X

ブラゼイスピロールX
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： C28H38O4
Molecular formula furigana： C28-H38-O4
Molecular weight： 438.608
InChI： InChI=1S/C28H38O4/c1-15-20-9-11-26(6)22-10-12-27(26,23(20)13-18-7-8-19(29)14-21(15)18)32-28(16(22)2)24(30)17(3)25(4,5)31-28/h9,11,13,16-17,19,22,24,29-30H,7-8,10,12,14H2,1-6H3/t16-,17-,19-,22+,24+,26+,27-,28-/m0/s1
InChI key： VBISPJCTWIICDB-RDCGBHQJSA-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=Cc1c(C)c2C[C@@H](O)CCc2cc31
Systematic name  (3)：
  • (2S,15′S)-3′β,4α,4′aα,5,5,7′-ヘキサメチル-4′β,10′bβ-エタノ-8′,9′-ブタノ-3′,4′,4′a,10′b-テトラヒドロスピロ[オキソラン-2,2′-[2H]ナフト[1,2-b]ピラン]-3α,15′-ジオール
  • (1'R,2S,3R,4S,7'S,14'R,15'R,16'S)-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[13.3.2.01,14.02,11.04,9]イコサン]-2',4'(9'),10',12'-テトラエン-3,7'-ジオール
  • (1'R,2S,3R,4S,7'S,14'R,15'R,16'S)-4,5,5,10',14',16'-hexamethyl-18'-oxaspiro[oxolane-2,17'-pentacyclo[13.3.2.01,14.02,11.04,9]icosane]-2',4'(9'),10',12'-tetraene-3,7'-diol
Other name (3)：
  • (2S,15′S)-3′β,4α,4′aα,5,5,7′-Hexamethyl-4′β,10′bβ-ethano-8′,9′-butano-3′,4′,4′a,10′b-tetrahydrospiro[oxolane-2,2′-[2H]naphtho[1,2-b]pyran]-3α,15′-diol
  • ブラゼイスピロールX
  • Blazeispirol X
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