Chem
J-GLOBAL ID：200907095531690770   Nikkaji number：J1.862.266A

Roselipin 3A

ロセリピン3A
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： C34H62O9
Molecular formula furigana： C34-H62-O9
Molecular weight： 614.861
InChI： InChI=1S/C34H62O9/c1-11-19(2)12-20(3)13-21(4)30(38)22(5)14-23(6)31(39)24(7)15-25(8)32(40)26(9)16-27(10)34(42)43-18-29(37)33(41)28(36)17-35/h14-16,19-22,24,26,28-33,35-41H,11-13,17-18H2,1-10H3/b23-14+,25-15+,27-16+/t19?,20?,21?,22?,24?,26?,28-,29-,30?,31?,32?,33+/m1/s1
InChI key： SRWWAYWBTFXYAI-QDNFGOPKSA-N
SMILES： CCC(C)CC(C)CC(C)C(O)C(C)/C=C(\C)/C(O)C(C)/C=C(\C)/C(O)C(C)/C=C(\C)/C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)CO
Systematic name  (3)：
  • D-アラビニトール5-[(2E,6E,10E)-5,9,13-トリヒドロキシ-2,4,6,8,10,12,14,16,18-ノナメチル-2,6,10-イコサトリエノアート]
  • (2R,3S,4R)-2,3,4,5-テトラヒドロキシペンチル (2E,6E,10E)-5,9,13-トリヒドロキシ-2,4,6,8,10,12,14,16,18-ノナメチルイコサ-2,6,10-トリエノアート
  • (2R,3S,4R)-2,3,4,5-tetrahydroxypentyl (2E,6E,10E)-5,9,13-trihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate
Other name (3)：
  • D-Arabinitol 5-[(2E,6E,10E)-5,9,13-trihydroxy-2,4,6,8,10,12,14,16,18-nonamethyl-2,6,10-icosatrienoate]
  • ロセリピン3A
  • Roselipin 3A
CAS registry number： 463312-28-9
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