Chem
J-GLOBAL ID：200907083481730700   Nikkaji number：J12.250E

Dinactin

ジナクチン
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： C42H68O12
Molecular formula furigana： C42-H68-O12
Molecular weight： 764.994
InChI： InChI=1S/C42H68O12/c1-9-29-21-33-13-17-35(51-33)25(5)39(43)47-24(4)20-32-12-16-38(50-32)28(8)42(46)54-30(10-2)22-34-14-18-36(52-34)26(6)40(44)48-23(3)19-31-11-15-37(49-31)27(7)41(45)53-29/h23-38H,9-22H2,1-8H3/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1
InChI key： ZBDGIMZKOJALMU-HXUSMMTHSA-N
SMILES： CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1
Systematic name  (3)：
  • 5,23-ジデメチル-5,23-ジエチルノナクチン
  • (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,23-ジエチル-2,11,14,20,29,32-ヘキサメチル-4,13,22,31,37,38,39,40-オクタオキサペンタシクロ[32.2.1.17,10.116,19.125,28]テトラコンタン-3,12,21,30-テトラオン
  • (1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,23-diethyl-2,11,14,20,29,32-hexamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Other name (3)：
  • ジナクチン
  • Dinactin
  • 5,23-Didemethyl-5,23-diethylnonactin
CAS registry number： 20261-85-2
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