Chem
J-GLOBAL ID：200907035195089831   Nikkaji number：J8.842K

Neogitogenin

ネオギトゲニン
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： C27H44O4
Molecular formula furigana： C27-H44-O4
Molecular weight： 432.645
InChI： InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22+,23-,24-,25-,26-,27+/m0/s1
InChI key： FWCXELAAYFYCSR-HJXRQQMRSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CC[C@H](C)CO2
Systematic name  (3)：
  • (25S)-5α-スピロスタン-2α,3β-ジオール
  • (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-15',16'-ジオール
  • (1'R,2R,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-15',16'-diol
Other name (7)：
  • ネオギトゲニン
  • Neogitogenin
  • 25β-ギトゲニン
  • neo-ギトゲニン
  • 25β-Gitogenin
Show all
CAS registry number： 6811-13-8
KEGG COMPOUND： C17003
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