Chem
J-GLOBAL ID：200907055826567677   Nikkaji number：J1.902.933F

8a-Iodo-8a,8b-secooleandolide

8a-ヨード-8a,8b-セコオレアンドリド
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： C20H35IO7
Molecular formula furigana： C20-H35-I-O7
Molecular weight： 514.397
InChI： InChI=1S/C20H35IO7/c1-9-7-20(27,8-21)18(25)12(4)16(23)10(2)14(6)28-19(26)13(5)17(24)11(3)15(9)22/h9-17,22-24,27H,7-8H2,1-6H3/t9-,10-,11+,12+,13+,14+,15-,16-,17-,20+/m0/s1
InChI key： ZSVWMSQZGJYYAG-HRVFELILSA-N
SMILES： C[C@H]1C[C@@](O)(CI)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O
Systematic name  (4)：
  • (3R)-3α,5α,7β,11α,13β,14β-ヘキサメチル-4β,6β,9α,12β-テトラヒドロキシ-9-(ヨードメチル)-1-オキサシクロテトラデカン-2,10-ジオン
  • 8a-ヨード-8a,8b-セコオレアンドリド
  • (3R,4S,5R,6S,7S,9S,11R,12S,13R,14R)-4,6,9,12-テトラヒドロキシ-9-(ヨードメチル)-3,5,7,11,13,14-ヘキサメチル-1-オキサシクロテトラデカン-2,10-ジオン
  • (3R,4S,5R,6S,7S,9S,11R,12S,13R,14R)-4,6,9,12-tetrahydroxy-9-(iodomethyl)-3,5,7,11,13,14-hexamethyl-1-oxacyclotetradecane-2,10-dione
Other name (2)：
  • (3R)-3α,5α,7β,11α,13β,14β-Hexamethyl-4β,6β,9α,12β-tetrahydroxy-9-(iodomethyl)-1-oxacyclotetradecane-2,10-dione
  • 8a-Iodo-8a,8b-secooleandolide
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