Chem
J-GLOBAL ID：200907068379288867   Nikkaji number：J16.182I

Gratiogenin

グラチオゲニン
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-25(2)18-9-11-21-27(5)15-13-20(29(7)16-14-24(34-29)26(3,4)33)28(27,6)17-23(32)30(21,8)19(18)10-12-22(25)31/h9,19-22,24,31,33H,10-17H2,1-8H3/t19-,20+,21+,22?,24+,27+,28-,29+,30+/m1/s1
InChI key： DJFUSGZOFOKWFY-VGXLEDGMSA-N
SMILES： CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Systematic name  (3)：
  • (10α,24S)-20,24-エポキシ-3,25-ジヒドロキシ-9β-メチル-19-ノルラノスタ-5-エン-11-オン
  • (1S,3aS,3bS,9aR,9bR,11aR)-7-ヒドロキシ-1-[(2S,5S)-5-(2-ヒドロキシプロパン-2-イル)-2-メチルオキソラン-2-イル]-3a,6,6,9b,11a-ペンタメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-オン
  • (1S,3aS,3bS,9aR,9bR,11aR)-7-hydroxy-1-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (3)：
  • グラチオゲニン
  • Gratiogenin
  • (10α,24S)-20,24-Epoxy-3,25-dihydroxy-9β-methyl-19-norlanost-5-en-11-one
CAS registry number： 7067-16-5
KEGG COMPOUND： C08808
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