Chem
J-GLOBAL ID：200907085635153992   Nikkaji number：J82.355D

Obacunoic acid

オバクン酸
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： C26H32O8
Molecular formula furigana： C26-H32-O8
Molecular weight： 472.534
InChI： InChI=1S/C26H32O8/c1-22(2,31)16-12-17(27)25(5)15(23(16,3)9-7-18(28)29)6-10-24(4)19(14-8-11-32-13-14)33-21(30)20-26(24,25)34-20/h7-9,11,13,15-16,19-20,31H,6,10,12H2,1-5H3,(H,28,29)/b9-7-/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
InChI key： GUIYORVNNIUEBH-SXMAHZFBSA-N
SMILES： CC(C)(O)[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]234)c2ccoc2)[C@@]1(C)/C=C\C(=O)O
Systematic name  (3)：
  • オバクン酸
  • (2Z)-3-[(1R,2R,5R,6R,7R,10S,11S,14S)-11-(フラン-3-イル)-5-(2-ヒドロキシプロパン-2-イル)-2,6,10-トリメチル-3,13-ジオキソ-12,15-ジオキサテトラシクロ[8.5.0.01,14.02,7]ペンタデカン-6-イル]プロパ-2-エン酸
  • (2Z)-3-[(1R,2R,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoic acid
Other name (1)：
  • Obacunoic acid
CAS registry number： 751-29-1
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