Chem
J-GLOBAL ID：200907083752361072   Nikkaji number：J37.160B

Roridin A

ロリジンA
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： C29H40O9
Molecular formula furigana： C29-H40-O9
Molecular weight： 532.630
InChI： InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
InChI key： NSFWWJIQIKBZMJ-GRQSARHWSA-N
SMILES： C[C@@H](O)[C@@H]1OCC[C@@H](C)[C@H](O)C(=O)OC[C@]23CCC(=C[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/1)[C@@]3(C)[C@]12CO1)C
Systematic name  (3)：
  • (7′R)-7′-デオキソ-7′-[(R)-1-ヒドロキシエチル]ベルカリンA
  • (1'R,2R,3'R,8'R,12'S,13'R,17'R,18'Z,20'Z,24'R,25'S)-12'-ヒドロキシ-17'-[(1R)-1-ヒドロキシエチル]-5',13',25'-トリメチル-2',10',16',23'-テトラオキサスピロ[オキシラン-2,26'-テトラシクロ[22.2.1.03,8.08,25]ヘプタコサン]-4',18',20'-トリエン-11',22'-ジオン
  • (1'R,2R,3'R,8'R,12'S,13'R,17'R,18'Z,20'Z,24'R,25'S)-12'-hydroxy-17'-[(1R)-1-hydroxyethyl]-5',13',25'-trimethyl-2',10',16',23'-tetraoxaspiro[oxirane-2,26'-tetracyclo[22.2.1.03,8.08,25]heptacosane]-4',18',20'-triene-11',22'-dione
Other name (3)：
  • ロリジンA
  • Roridin A
  • (7′R)-7′-Deoxo-7′-[(R)-1-hydroxyethyl]verrucarin A
CAS registry number： 14729-29-4
Regulation number (1)：
  • EINECS2387838
KEGG COMPOUND： C09716
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM