Chem
J-GLOBAL ID：200907081055628360   Nikkaji number：J152.187J

Austin

アウスチン
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： C27H32O9
Molecular formula furigana： C27-H32-O9
Molecular weight： 500.544
InChI： InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1
InChI key： DEMDOYQPCDXCEB-WLEVADLXSA-N
SMILES： C[C@@H]1OC(=O)[C@@]23C(=C)[C@@](C)(OC(=O)[C@@]12O)[C@H](OC(=O)C)C1=C(C)[C@]2(CC[C@@]31C)C=CC(=O)OC2(C)C
Systematic name  (3)：
  • アウスチン
  • (1'S,2'R,3S,8'R,9'R,12'S,13'S)-12'-ヒドロキシ-2,2,2',6',9',13'-ヘキサメチル-16'-メチリデン-6,11',15'-トリオキソ-2,6-ジヒドロ-10',14'-ジオキサスピロ[ピラン-3,5'-テトラシクロ[7.6.1.01,12.02,7]ヘキサデカン]-6'-エン-8'-イル アセタート
  • (1'S,2'R,3S,8'R,9'R,12'S,13'S)-12'-hydroxy-2,2,2',6',9',13'-hexamethyl-16'-methylidene-6,11',15'-trioxo-2,6-dihydro-10',14'-dioxaspiro[pyran-3,5'-tetracyclo[7.6.1.01,12.02,7]hexadecan]-6'-en-8'-yl acetate
Other name (1)：
  • Austin
CAS registry number： 61103-89-7
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