Chem
J-GLOBAL ID：200907001757830848   Nikkaji number：J1.454.018K

5-Hydroxy-3,4-secoferna-4(23)-ene-3-oic acid

5-ヒドロキシ-3,4-セコフェルナ-4(23)-エン-3-酸
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： C30H50O3
Molecular formula furigana： C30-H50-O3
Molecular weight： 458.727
InChI： InChI=1S/C30H50O3/c1-19(2)21-9-10-24-26(21,5)17-18-27(6)22-12-16-30(33,20(3)4)28(7,15-13-25(31)32)23(22)11-14-29(24,27)8/h19,21-24,33H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22+,23+,24-,26-,27-,28-,29+,30-/m1/s1
InChI key： PVZVOOXSBKNHOF-UTKFBPFFSA-N
SMILES： CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC[C@@](O)(C(=C)C)[C@](C)(CCC(=O)O)[C@H]3CC[C@@]21C
Systematic name  (3)：
  • 5-ヒドロキシ-3,4-セコフェルナ-4(23)-エン-3-酸
  • 3-[(1R,3aR,3bS,5aS,6R,7R,9aS,9bR,11aR)-7-ヒドロキシ-3b,6,9b,11a-テトラメチル-7-(プロパ-1-エン-2-イル)-1-(プロパン-2-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-6-イル]プロパン酸
  • 3-[(1R,3aR,3bS,5aS,6R,7R,9aS,9bR,11aR)-7-hydroxy-3b,6,9b,11a-tetramethyl-7-(prop-1-en-2-yl)-1-(propan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-6-yl]propanoic acid
Other name (1)：
  • 5-Hydroxy-3,4-secoferna-4(23)-ene-3-oic acid
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