Chem
J-GLOBAL ID：200907045876592308   Nikkaji number：J9.049B

Convallamarogenin

コンバラマロゲニン
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： C27H42O4
Molecular formula furigana： C27-H42-O4
Molecular weight： 430.629
InChI： InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChI key： XLHFBXMTUNORSV-ZENYHQJXSA-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[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CCC(=C)CO2
Systematic name  (3)：
  • 5β-スピロスタ-25(27)-エン-1β,3β-ジオール
  • (1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,14'R,16'R,18'R)-7',9',13'-トリメチル-5-メチリデン-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]-14',16'-ジオール
  • (1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,14'R,16'R,18'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-14',16'-diol
Other name (3)：
  • コンバラマロゲニン
  • Convallamarogenin
  • 5β-Spirost-25(27)-ene-1β,3β-diol
CAS registry number： 16683-27-5
KEGG COMPOUND： C08891
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