Chem
J-GLOBAL ID：200907022501719181   Nikkaji number：J37.159I

Roridin E

ロリジンE
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： C29H38O8
Molecular formula furigana： C29-H38-O8
Molecular weight： 514.615
InChI： InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22-,23-,24-,27-,28-,29-/m1/s1
InChI key： KEEQQEKLEZRLDS-HLJCEFLVSA-N
SMILES： C[C@@H](O)[C@@H]1OCC/C(=C\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)/C
Systematic name  (3)：
  • (2′E,7′R)-2′,3′-ジデヒドロ-7′-デオキソ-2′-デオキシ-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'Z,17'R,18'Z,20'Z,24'R,25'S)-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',12',18',20'-テトラエン-11',22'-ジオン
  • (1'R,2R,3'R,8'R,12'Z,17'R,18'Z,20'Z,24'R,25'S)-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',12',18',20'-tetraene-11',22'-dione
Other name (4)：
  • ロリジンE
  • Roridin E
  • Roridine E
  • (2′E,7′R)-2′,3′-Didehydro-7′-deoxo-2′-deoxy-7′-[(R)-1-hydroxyethyl]verrucarin A
CAS registry number： 16891-85-3
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