Chem
J-GLOBAL ID：200907049155541325   Nikkaji number：J514.427B

Crasseride 3

クラッセリド3
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： C40H78O8
Molecular formula furigana： C40-H78-O8
Molecular weight： 687.056
InChI： InChI=1S/C40H78O8/c1-5-6-7-21-26-33(4)27-22-17-13-11-15-19-24-29-46-30-34(31-47-40-38(44)36(42)37(43)39(40)45)48-35(41)28-23-18-14-10-8-9-12-16-20-25-32(2)3/h32-34,36-40,42-45H,5-31H2,1-4H3/t33?,34-,36+,37+,38-,39-/m0/s1
InChI key： ADTWELDBSXWZMA-OYJYZISGSA-N
SMILES： CCCCCCC(C)CCCCCCCCCOC[C@@H](COC1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCC(C)C
Systematic name  (3)：
  • 13-メチルテトラデカン酸(1S)-1-[[(10-メチルヘキサデシル)オキシ]メチル]-2-[(2β,3α,4β,5α-テトラヒドロキシシクロペンタン-1β-イル)オキシ]エチル
  • (2S)-1-[(10-メチルヘキサデシル)オキシ]-3-{[(2S,3R,4R,5S)-2,3,4,5-テトラヒドロキシシクロペンチル]オキシ}プロパン-2-イル 13-メチルテトラデカノアート
  • (2S)-1-[(10-methylhexadecyl)oxy]-3-{[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclopentyl]oxy}propan-2-yl 13-methyltetradecanoate
Other name (3)：
  • クラッセリド3
  • Crasseride 3
  • 13-Methyltetradecanoic acid (1S)-1-[[(10-methylhexadecyl)oxy]methyl]-2-[(2β,3α,4β,5α-tetrahydroxycyclopentan-1β-yl)oxy]ethyl ester
Thsaurus map：
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