Chem
J-GLOBAL ID：200907065036581683   Nikkaji number：J1.862.268H

Roselipin 4

ロセリピン4
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： C36H64O10
Molecular formula furigana： C36-H64-O10
Molecular weight： 656.898
InChI： InChI=1S/C36H64O10/c1-12-19(2)13-20(3)14-25(8)34(46-36-33(42)32(41)31(40)28(18-37)45-36)26(9)16-23(6)29(38)21(4)15-22(5)30(39)24(7)17-27(10)35(43)44-11/h15-17,19-21,24-26,28-34,36-42H,12-14,18H2,1-11H3/b22-15+,23-16+,27-17+/t19?,20?,21?,24?,25?,26?,28-,29?,30?,31+,32+,33-,34?,36+/m1/s1
InChI key： SLOJTKQNQORYOU-IKZDTAIVSA-N
SMILES： CCC(C)CC(C)CC(C)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(C)/C=C(\C)/C(O)C(C)/C=C(\C)/C(O)C(C)/C=C(\C)/C(=O)OC
Systematic name  (3)：
  • (2E,6E,10E)-13-(β-D-ガラクトピラノシルオキシ)-5,9-ジヒドロキシ-2,4,6,8,10,12,14,16,18-ノナメチル-2,6,10-イコサトリエン酸メチル
  • メチル (2E,6E,10E)-5,9-ジヒドロキシ-2,4,6,8,10,12,14,16,18-ノナメチル-13-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}イコサ-2,6,10-トリエノアート
  • methyl (2E,6E,10E)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-13-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}icosa-2,6,10-trienoate
Other name (3)：
  • (2E,6E,10E)-13-(β-D-Galactopyranosyloxy)-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-icosatrienoic acid methyl ester
  • ロセリピン4
  • Roselipin 4
CAS registry number： 463312-30-3
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