Chem
J-GLOBAL ID：200907074601583830   Nikkaji number：J1.034.402F

3α,16β-Dihydroxy-23-oxo-5α-eupha-7,24-diene-21,28-dioic acid 21,16:28,3-dilactone

3α,16β-ジヒドロキシ-23-オキソ-5α-オイファ-7,24-ジエン-21,28-二酸21,16:28,3-ジラクトン
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： C30H40O5
Molecular formula furigana： C30-H40-O5
Molecular weight： 480.645
InChI： InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/m1/s1
InChI key： UAKRLLAUOQEYFN-PQNCNOJFSA-N
SMILES： CC(=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@H]5[C@@]6(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@@]23C)OC6=O)OC1=O)C
Systematic name  (3)：
  • 3α,16β-ジヒドロキシ-23-オキソ-5α-オイファ-7,24-ジエン-21,28-二酸21,16:28,3-ジラクトン
  • (2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-テトラメチル-7-(4-メチル-2-オキソペンタ-3-エン-1-イル)-5,17-ジオキサヘキサシクロ[10.10.0.02,9.04,8.013,20.016,19]ドコサ-1(22)-エン-6,18-ジオン
  • (2S,4S,7R,8S,9S,12R,13R,16R,19S,20R)-2,9,13,19-tetramethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-5,17-dioxahexacyclo[10.10.0.02,9.04,8.013,20.016,19]docos-1(22)-ene-6,18-dione
Other name (1)：
  • 3α,16β-Dihydroxy-23-oxo-5α-eupha-7,24-diene-21,28-dioic acid 21,16:28,3-dilactone
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