Chem
J-GLOBAL ID：200907025278382284   Nikkaji number：J514.430B

Crasseride 6

クラッセリド6
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： C42H82O8
Molecular formula furigana： C42-H82-O8
Molecular weight： 715.110
InChI： InChI=1S/C42H82O8/c1-5-7-9-20-26-34(3)28-22-16-12-11-15-19-25-31-48-32-36(33-49-42-40(46)38(44)39(45)41(42)47)50-37(43)30-24-18-14-13-17-23-29-35(4)27-21-10-8-6-2/h34-36,38-42,44-47H,5-33H2,1-4H3/t34?,35?,36-,38+,39+,40-,41-/m0/s1
InChI key： VGMPBLQVUTXSEM-JVEBKFCKSA-N
SMILES： CCCCCCC(C)CCCCCCCCCOC[C@@H](COC1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCCC(C)CCCCCC
Systematic name  (3)：
  • 10-メチルヘキサデカン酸(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 10-メチルヘキサデカノアート
  • (2S)-1-[(10-methylhexadecyl)oxy]-3-{[(2S,3R,4R,5S)-2,3,4,5-tetrahydroxycyclopentyl]oxy}propan-2-yl 10-methylhexadecanoate
Other name (3)：
  • クラッセリド6
  • Crasseride 6
  • 10-Methylhexadecanoic acid (1S)-1-[[(10-methylhexadecyl)oxy]methyl]-2-[(2β,3α,4β,5α-tetrahydroxycyclopentan-1β-yl)oxy]ethyl ester
Thsaurus map：
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