Chem
J-GLOBAL ID：200907076482515734   Nikkaji number：J755.176B

Filipin III

フィリピンIII
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： C35H58O11
Molecular formula furigana： C35-H58-O11
Molecular weight： 654.838
InChI： InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1
InChI key： IMQSIXYSKPIGPD-YQRUMEKGSA-N
SMILES： CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)/C(=C/C=C/C=C/C=C/C=C/[C@H](O)[C@@H](C)OC1=O)/C
Systematic name  (3)：
  • (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-オクタヒドロキシ-3-[(R)-1-ヒドロキシヘキシル]-17,28-ジメチルオキサシクロオクタコサ-17,19,21,23,25-ペンタエン-2-オン
  • (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-オクタヒドロキシ-3-[(1R)-1-ヒドロキシヘキシル]-17,28-ジメチル-1-オキサシクロオクタコサ-17,19,21,23,25-ペンタエン-2-オン
  • (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Other name (7)：
  • (3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-Octahydroxy-3-[(R)-1-hydroxyhexyl]-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-penten-2-one
  • フィリピンIII
  • Filipin III
  • Filipin
  • Filimarisin
Show all
CAS registry number： 480-49-9
KEGG DRUG： D04186
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