Chem
J-GLOBAL ID：200907013161844203   Nikkaji number：J1.763.600F

Chirat-17(22)-en-3-one

キラト-17(22)-エン-3-オン
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： C30H48O
Molecular formula furigana： C30-H48-O
Molecular weight： 424.713
InChI： InChI=1S/C30H48O/c1-25(2)17-18-27(5)20(19-25)11-15-29(7)22(27)9-10-23-28(6)14-13-24(31)26(3,4)21(28)12-16-30(23,29)8/h19,21-23H,9-18H2,1-8H3/t21-,22+,23+,27-,28-,29+,30+/m0/s1
InChI key： YVBDKBSSVHMQTJ-AHNCAJPUSA-N
SMILES： CC1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CCC2=C1
Systematic name  (3)：
  • 21,21-ジメチル-22,22-ジデスメチルガンマセラ-17(22)-エン-3-オン
  • (4aR,6aR,6bR,12aR,12bR,14aR,14bR)-4,4,6a,6b,10,10,12a,14b-オクタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,12b,13,14,14a,14b-イコサヒドロピセン-3-オン
  • (4aR,6aR,6bR,12aR,12bR,14aR,14bR)-4,4,6a,6b,10,10,12a,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-one
Other name (3)：
  • 21,21-Dimethyl-22,22-didesmethylgammacera-17(22)-ene-3-one
  • Chirat-17(22)-en-3-one
  • キラト-17(22)-エン-3-オン
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