Chem
J-GLOBAL ID：200907033046173720   Nikkaji number：J1.741.562J

Elfvingic acid E

エルフビング酸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： C30H42O9
Molecular formula furigana： C30-H42-O9
Molecular weight： 546.657
InChI： InChI=1S/C30H42O9/c1-15(24(36)37)9-16(32)13-27(4,38)19-11-22(35)29(6)28(19,5)21(34)10-18-25(2)8-7-20(33)26(3,14-31)17(25)12-23-30(18,29)39-23/h10-11,15,17,20,22-23,31,33,35,38H,7-9,12-14H2,1-6H3,(H,36,37)/t15?,17-,20+,22-,23+,25+,26+,27+,28+,29-,30-/m1/s1
InChI key： KCQYWDVUFDEZQI-WWXWNECVSA-N
SMILES： CC(CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C)C(=O)O
Systematic name  (3)：
  • (20S)-7β,8β-エポキシ-3β,15β,20,28-テトラヒドロキシ-12,23-ジオキソラノスタ-9(11),16-ジエン-26-酸
  • (6S)-6-[(1S,3S,5R,6R,7S,10S,14R,17R,18S)-7,17-ジヒドロキシ-6-(ヒドロキシメチル)-6,10,14,18-テトラメチル-13-オキソ-2-オキサペンタシクロ[9.7.0.01,3.05,10.014,18]オクタデカ-11,15-ジエン-15-イル]-6-ヒドロキシ-2-メチル-4-オキソヘプタン酸
  • (6S)-6-[(1S,3S,5R,6R,7S,10S,14R,17R,18S)-7,17-dihydroxy-6-(hydroxymethyl)-6,10,14,18-tetramethyl-13-oxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
Other name (3)：
  • (20S)-7β,8β-Epoxy-3β,15β,20,28-tetrahydroxy-12,23-dioxolanosta-9(11),16-diene-26-oic acid
  • エルフビング酸E
  • Elfvingic acid E
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