Chem
J-GLOBAL ID：200907073928520509   Nikkaji number：J514.429I

Crasseride 5

クラッセリド5
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： C41H80O8
Molecular formula furigana： C41-H80-O8
Molecular weight： 701.083
InChI： InChI=1S/C41H80O8/c1-5-6-7-22-27-34(4)28-23-18-14-12-16-20-25-30-47-31-35(32-48-41-39(45)37(43)38(44)40(41)46)49-36(42)29-24-19-15-11-9-8-10-13-17-21-26-33(2)3/h33-35,37-41,43-46H,5-32H2,1-4H3/t34?,35-,37+,38+,39-,40-/m0/s1
InChI key： DPGGHWKQIMRSAT-WUNDXSHJSA-N
SMILES： CCCCCCC(C)CCCCCCCCCOC[C@@H](COC1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCC(C)C
Systematic name  (3)：
  • 14-メチルペンタデカン酸(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 14-メチルペンタデカノアート
  • (2S)-1-[(10-methylhexadecyl)oxy]-3-{[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclopentyl]oxy}propan-2-yl 14-methylpentadecanoate
Other name (3)：
  • クラッセリド5
  • Crasseride 5
  • 14-Methylpentadecanoic acid (1S)-1-[[(10-methylhexadecyl)oxy]methyl]-2-[(2β,3α,4β,5α-tetrahydroxycyclopentan-1β-yl)oxy]ethyl ester
Thsaurus map：
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