Chem
J-GLOBAL ID：200907020900637935   Nikkaji number：J12.118E

Hecogenin

ヘコゲニン
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)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
InChI key： QOLRLLFJMZLYQJ-LOBDNJQFSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]21CC[C@@H](C)CO2
Systematic name  (3)：
  • (25R)-3β-ヒドロキシ-5α-スピロスタン-12-オン
  • (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-16'-ヒドロキシ-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]-10'-オン
  • (1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'S,16'S,18'S)-16'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-10'-one
Other name (3)：
  • ヘコゲニン
  • Hecogenin
  • (25R)-3β-Hydroxy-5α-spirostan-12-one
CAS registry number： 467-55-0
Regulation number (1)：
  • EINECS2073924
KEGG COMPOUND： C08902
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