Chem
J-GLOBAL ID:200907051453348060   Nikkaji number:J18.470E

Resinone

レシノン
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: C30H48O2
Molecular formula furigana: C30-H48-O2
Molecular weight: 440.712
InChI: InChI=1S/C30H48O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,24-,25+,27-,28+,29+,30+/m0/s1
InChI key: SOKRNBGSNZXYIO-GEWJJWOZSA-N
SMILES: CC(=C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O
Systematic name  (3):
  • 16β-ヒドロキシルパ-20(29)-エン-3-オン
  • (1R,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-4-ヒドロキシ-3a,5a,5b,8,8,11a-ヘキサメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-9-オン
  • (1R,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-4-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-one
Other name (3):
  • レシノン
  • Resinone
  • 16β-Hydroxylup-20(29)-en-3-one
CAS registry number: 43043-12-5
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