Chem
J-GLOBAL ID：200907015527205350   Nikkaji number：J612.396A

Messagenin

メッサゲニン
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： C29H48O3
Molecular formula furigana： C29-H48-O3
Molecular weight： 444.700
InChI： InChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,26-,27+,28+,29+/m0/s1
InChI key： BSALBDFYJLSIOZ-UGWIBKDRSA-N
SMILES： CC(=O)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name  (3)：
  • 3β,28-ジヒドロキシ-30-ノルルパン-20-オン
  • 1-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-ヒドロキシ-3a-(ヒドロキシメチル)-5a,5b,8,8,11a-ペンタメチル-イコサヒドロ-1H-シクロペンタ[a]クリセン-1-イル]エタン-1-オン
  • 1-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-icosahydro-1H-cyclopenta[a]chrysen-1-yl]ethan-1-one
Other name (3)：
  • メッサゲニン
  • Messagenin
  • 3β,28-Dihydroxy-30-norlupan-20-one
KEGG COMPOUND： C08631
Thsaurus map：
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