Chem
J-GLOBAL ID：200907027847718540   Nikkaji number：J2.553.175B

Chlorotonil A

クロロトニル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： C26H32Cl2O4
Molecular formula furigana： C26-H32-CL2-O4
Molecular weight： 479.440
InChI： InChI=1S/C26H32Cl2O4/c1-14-12-16(3)21-19(13-14)10-11-20-15(2)8-6-7-9-17(4)32-25(31)18(5)23(29)26(27,28)24(30)22(20)21/h6-12,15-22H,13H2,1-5H3/b8-6-,9-7+/t15-,16-,17+,18+,19-,20+,21-,22-/m1/s1
InChI key： RQYZFUUTQJMTMJ-JCSZEPHKSA-N
SMILES： C[C@@H]1C=C(C)C[C@H]2C=C[C@@H]3[C@H]([C@H]12)C(=O)C(Cl)(Cl)C(=O)[C@H](C)C(=O)O[C@@H](C)/C=C/C=C\[C@H]3C
Systematic name  (4)：
  • (1R,5S,8S,9E,11Z,13R,14S,17S,21S,22R)-3,3-ジクロロ-5,8,13,19,21-ペンタメチル-7-オキサトリシクロ[12.8.0.017,22]ドコサン-9,11,15,19-テトラエン-2,4,6-トリオン
  • (1S,4aS,6aS,7R,8Z,10E,12S,15S,18aR,18bR)-17,17-ジクロロ-13-オキサ-1,3,7,12,15-ペンタメチル-1,4,4a,6a,7,12,13,14,15,16,17,18,18a,18b-テトラデカヒドロシクロテトラデカ[a]ナフタレン-14,16,18-トリオン
  • (4S,7S,12R,12aS,14aS,18S,18aR,18bR)-2,2-ジクロロ-4,7,12,16,18-ペンタメチル-1H,2H,3H,4H,5H,7H,12H,12aH,14aH,15H,18H,18aH,18bH-ナフト[1,2-g]オキサシクロテトラデカン-1,3,5-トリオン
  • (4S,7S,12R,12aS,14aS,18S,18aR,18bR)-2,2-dichloro-4,7,12,16,18-pentamethyl-1H,2H,3H,4H,5H,7H,12H,12aH,14aH,15H,18H,18aH,18bH-naphtho[1,2-g]oxacyclotetradecane-1,3,5-trione
Other name (4)：
  • (1S,4aS,6aS,7R,8Z,10E,12S,15S,18aR,18bR)-17,17-Dichloro-13-oxa-1,3,7,12,15-pentamethyl-1,4,4a,6a,7,12,13,14,15,16,17,18,18a,18b-tetradecahydrocyclotetradeca[a]naphthalene-14,16,18-trone
  • クロロトニルA
  • Chlorotonil A
  • (1R,5S,8S,9E,11Z,13R,14S,17S,21S,22R)-3,3-Dichloro-5,8,13,19,21-pentamethyl-7-oxatricyclo[12.8.0.017,22]docosane-9,11,15,19-tetraene-2,4,6-trone
CAS registry number： 1009813-26-6
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