Chem
J-GLOBAL ID：200907047714804398   Nikkaji number：J846.792G

Garsubellin A

ガルスベリンA
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： C30H44O5
Molecular formula furigana： C30-H44-O5
Molecular weight： 484.677
InChI： InChI=1S/C30H44O5/c1-17(2)11-13-20-15-29-16-22(28(9,10)34)35-25(29)21(14-12-18(3)4)24(32)30(26(29)33,27(20,7)8)23(31)19(5)6/h11-12,19-20,22,34H,13-16H2,1-10H3/t20-,22-,29-,30-/m0/s1
InChI key： UWZUPSXSBAFYHU-CZDCCFESSA-N
SMILES： CC(C)C(=O)[C@@]12C(=O)C(=C3O[C@@H](C[C@]3(C[C@H](CC=C(C)C)C1(C)C)C2=O)C(C)(C)O)CC=C(C)C
Systematic name  (4)：
  • (3aS,7R)-2α-(1-ヒドロキシ-1-メチルエチル)-5α,9-ビス(3-メチル-2-ブテニル)-6,6-ジメチル-7-イソブチリル-2,3,4,5,6,7-ヘキサヒドロ-8H-3a,7-メタノシクロオクタ[b]フラン-8,10-ジオン
  • 2α-(1-ヒドロキシ-1-メチルエチル)-5α,9-ビス(3-メチル-2-ブテニル)-6,6-ジメチル-7-イソブチリル-2,3,4,5,6,7-ヘキサヒドロ-8H-3aα,7α-メタノシクロオクタ[b]フラン-8,10-ジオン
  • (1S,3S,8R,10S)-3-(2-ヒドロキシプロパン-2-イル)-9,9-ジメチル-6,10-ビス(3-メチルブタ-2-エン-1-イル)-8-(2-メチルプロパノイル)-4-オキサトリシクロ[6.3.1.01,5]ドデカ-5-エン-7,12-ジオン
  • (1S,3S,8R,10S)-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-6,10-bis(3-methylbut-2-en-1-yl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
Other name (4)：
  • ガルスベリンA
  • Garsubellin A
  • (3aS,7R)-2α-(1-Hydroxy-1-methylethyl)-5α,9-bis(3-methyl-2-butenyl)-6,6-dimethyl-7-isobutyryl-2,3,4,5,6,7-hexahydro-8H-3a,7-methanocycloocta[b]furan-8,10-dione
  • 2α-(1-Hydroxy-1-methylethyl)-5α,9-bis(3-methyl-2-butenyl)-6,6-dimethyl-7-isobutyryl-2,3,4,5,6,7-hexahydro-8H-3aα,7α-methanocycloocta[b]furan-8,10-dione
Thsaurus map：
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