Chem
J-GLOBAL ID:200907082983162203   Nikkaji number:J662.218F

Hexakis[[[(S)-1-methylheptyl]oxy]acetic acid]phenanthrene-2,3,6,7,9,10-hexyl ester

ヘキサキス[[[(S)-1-メチルヘプチル]オキシ]酢酸]フェナントレン-2,3,6,7,9,10-ヘキサイル
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: C74H118O18
Molecular formula furigana: C74-H118-O18
Molecular weight: 1295.740
InChI: InChI=1S/C74H118O18/c1-13-19-25-31-37-53(7)81-47-67(75)87-63-43-59-60-44-64(88-68(76)48-82-54(8)38-32-26-20-14-2)66(90-70(78)50-84-56(10)40-34-28-22-16-4)46-62(60)74(92-72(80)52-86-58(12)42-36-30-24-18-6)73(91-71(79)51-85-57(11)41-35-29-23-17-5)61(59)45-65(63)89-69(77)49-83-55(9)39-33-27-21-15-3/h43-46,53-58H,13-42,47-52H2,1-12H3/t53-,54-,55-,56-,57-,58-/m0/s1
InChI key: CSSSAYNZIAGADB-BMFARTNFSA-N
SMILES: CCCCCC[C@H](C)OCC(=O)Oc1cc2c(OC(=O)CO[C@@H](C)CCCCCC)c(OC(=O)CO[C@@H](C)CCCCCC)c3cc(OC(=O)CO[C@@H](C)CCCCCC)c(OC(=O)CO[C@@H](C)CCCCCC)cc3c2cc1OC(=O)CO[C@@H](C)CCCCCC
Systematic name  (4):
  • ヘキサキス[2-[[(S)-1-メチルヘプチル]オキシ]酢酸]フェナントレン-2,3,6,7,9,10-ヘキサイル
  • ヘキサキス[[[(S)-1-メチルヘプチル]オキシ]酢酸]フェナントレン-2,3,6,7,9,10-ヘキサイル
  • 2,6,7,9,10-ペンタキス({2-[(2S)-オクタン-2-イルオキシ]アセチル}オキシ)フェナントレン-3-イル 2-[(2S)-オクタン-2-イルオキシ]アセタート
  • 2,6,7,9,10-pentakis({2-[(2S)-octan-2-yloxy]acetyl}oxy)phenanthren-3-yl 2-[(2S)-octan-2-yloxy]acetate
Other name (1):
  • Hexakis[[[(S)-1-methylheptyl]oxy]acetic acid]phenanthrene-2,3,6,7,9,10-hexyl ester
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