Chem
J-GLOBAL ID：200907033318059093   Nikkaji number：J1.438.177E

Callystatin A

カリスタチン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： C29H44O4
Molecular formula furigana： C29-H44-O4
Molecular weight： 456.667
InChI： InChI=1S/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19-/t21-,22+,23-,24+,26-,28-/m1/s1
InChI key： QPJTWGLLJWBDQW-KMMMXHTBSA-N
SMILES： CC[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@@H](C)/C=C(/CC)\C=C\[C@H]1CC=CC(=O)O1
Systematic name  (3)：
  • (6R)-6α-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-エチル-5,9,11,13,15-ペンタメチル-12-オキソ-14-ヒドロキシヘプタデカ-1,3,7,9-テトラエニル]-5,6-ジヒドロ-2H-ピラン-2-オン
  • (6R)-6-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-エチル-14-ヒドロキシ-5,9,11,13,15-ペンタメチル-12-オキソヘプタデカ-1,3,7,9-テトラエン-1-イル]-5,6-ジヒドロ-2H-ピラン-2-オン
  • (6R)-6-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraen-1-yl]-5,6-dihydro-2H-pyran-2-one
Other name (5)：
  • (6R)-6α-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-5,9,11,13,15-pentamethyl-12-oxo-14-hydroxyheptadeca-1,3,7,9-tetrenyl]-5,6-dihydro-2H-pyran-2-one
  • カリスタチンA
  • Callystatin A
  • (-)-Callystatin A
  • (-)-カリスタチンA
CAS registry number： 189883-16-7
KEGG COMPOUND： C16891
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