Chem
J-GLOBAL ID：200907038412885225   Nikkaji number：J15.287K

Monactin

モナクチン
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： C41H66O12
Molecular formula furigana： C41-H66-O12
Molecular weight： 750.967
InChI： InChI=1S/C41H66O12/c1-9-29-21-33-13-17-36(52-33)27(7)40(44)48-23(3)19-31-11-15-34(50-31)25(5)38(42)46-22(2)18-30-10-14-35(49-30)26(6)39(43)47-24(4)20-32-12-16-37(51-32)28(8)41(45)53-29/h22-37H,9-21H2,1-8H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
InChI key： YPUPRVWRYDPGCW-IDBRQATOSA-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](C)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-デメチル-5-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-エチル-2,11,14,20,23,29,32-ヘプタメチル-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-ethyl-2,11,14,20,23,29,32-heptamethyl-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)：
  • モナクチン
  • Monactin
  • 5-Demethyl-5-ethylnonactin
CAS registry number： 7182-54-9
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