Chem
J-GLOBAL ID:200907000396186810   Nikkaji number:J1.323.003J

Azadironic acid

アザジロン酸
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: C28H38O5
Molecular formula furigana: C28-H38-O5
Molecular weight: 454.607
InChI: InChI=1S/C28H38O5/c1-16(14-24(31)32)18-8-9-19-26(18,5)12-10-20-27(6)13-11-22(30)25(3,4)21(27)15-23(28(19,20)7)33-17(2)29/h9,11,13-14,18,20-21,23H,8,10,12,15H2,1-7H3,(H,31,32)/b16-14+/t18-,20+,21-,23+,26-,27+,28-/m0/s1
InChI key: ZPZMIHUQXFGAGD-OHQDNMPBSA-N
SMILES: CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC=C3[C@]12C)/C(=C/C(=O)O)/C
Systematic name  (3):
  • (13α,17α,20E)-3-オキソ-4,4,8-トリメチル-7α-アセトキシ-24-ノル-5α-コラ-1,14,20(22)-トリエン-23-酸
  • (2E)-3-[(1S,3bR,4R,5aR,9aR,9bR,11aS)-4-(アセチルオキシ)-3b,6,6,9a,11a-ペンタメチル-7-オキソ-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]ブタ-2-エン酸
  • (2E)-3-[(1S,3bR,4R,5aR,9aR,9bR,11aS)-4-(acetyloxy)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]but-2-enoic acid
Other name (3):
  • (13α,17α,20E)-3-Oxo-4,4,8-trimethyl-7α-acetoxy-24-nor-5α-chola-1,14,20(22)-triene-23-oic acid
  • アザジロン酸
  • Azadironic acid
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