Chem
J-GLOBAL ID：200907021673898111   Nikkaji number：J1.741.561A

Elfvingic acid D

エルフビング酸D
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/c1-14(24(36)37)8-15(31)12-27(5,38)19-10-21(34)29(7)28(19,6)20(33)9-18-26(4)13-16(32)23(35)25(2,3)17(26)11-22-30(18,29)39-22/h9-10,14,16-17,21-23,32,34-35,38H,8,11-13H2,1-7H3,(H,36,37)/t14?,16-,17+,21-,22+,23+,26+,27+,28+,29-,30-/m1/s1
InChI key： DRCONWGQHWLZJX-JKCMNWTCSA-N
SMILES： CC(CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)[C@H](O)C[C@]3(C)C4=CC(=O)[C@]12C)C(=O)O
Systematic name  (3)：
  • (20S)-7β,8β-エポキシ-2α,3β,15β,20-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-ヒドロキシ-2-メチル-4-オキソ-6-[(1S,3S,5R,7R,8R,10S,14R,17R,18S)-7,8,17-トリヒドロキシ-6,6,10,14,18-ペンタメチル-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]ヘプタン酸
  • (6S)-6-hydroxy-2-methyl-4-oxo-6-[(1S,3S,5R,7R,8R,10S,14R,17R,18S)-7,8,17-trihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadeca-11,15-dien-15-yl]heptanoic acid
Other name (3)：
  • (20S)-7β,8β-Epoxy-2α,3β,15β,20-tetrahydroxy-12,23-dioxolanosta-9(11),16-diene-26-oic acid
  • エルフビング酸D
  • Elfvingic acid D
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