Chem
J-GLOBAL ID：200907067384852650   Nikkaji number：J514.425F

Crasseride 1

クラッセリド1
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： C39H76O8
Molecular formula furigana： C39-H76-O8
Molecular weight： 673.029
InChI： InChI=1S/C39H76O8/c1-4-6-8-10-11-12-13-14-17-20-24-28-34(40)47-33(31-46-39-37(43)35(41)36(42)38(39)44)30-45-29-25-21-18-15-16-19-23-27-32(3)26-22-9-7-5-2/h32-33,35-39,41-44H,4-31H2,1-3H3/t32?,33-,35+,36+,37-,38-/m0/s1
InChI key： PGCYPCREUIJSEF-WKSUQRGUSA-N
SMILES： CCCCCCCCCCCCCC(=O)O[C@@H](COCCCCCCCCCC(C)CCCCCC)COC1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 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 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 tetradecanoate
Other name (3)：
  • クラッセリド1
  • Crasseride 1
  • Tetradecanoic acid (1S)-1-[[(10-methylhexadecyl)oxy]methyl]-2-[(2β,3α,4β,5α-tetrahydroxycyclopentan-1β-yl)oxy]ethyl ester
Thsaurus map：
Thesaurus Map

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