Chem
J-GLOBAL ID：200907037534007842   Nikkaji number：J1.534.763E

Pteridicacid B

プテリジン酸B
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： C21H32O5
Molecular formula furigana： C21-H32-O5
Molecular weight： 364.482
InChI： InChI=1S/C21H32O5/c1-6-17-11-12-21(25-16(17)5)15(4)19(24)14(3)20(26-21)13(2)9-7-8-10-18(22)23/h7-17,19-20,24H,6H2,1-5H3,(H,22,23)/t13-,14-,15+,16+,17-,19+,20-,21-/m0/s1
InChI key： QBUNWYIRJPTIPL-AZKLEJMXSA-N
SMILES： CC[C@H]1C=C[C@]2(O[C@@H]1C)O[C@@H]([C@@H](C)C=CC=CC(=O)O)[C@@H](C)[C@@H](O)[C@H]2C
Systematic name  (3)：
  • (6S)-6-[(2S,6S)-3β,5β,8α-トリメチル-4β-ヒドロキシ-9β-エチル-1,7-ジオキサスピロ[5.5]ウンデカ-10-エン-2β-イル]-2,4-ヘプタジエン酸
  • (6S)-6-[(2S,3S,4R,5R,6S,8R,9S)-9-エチル-4-ヒドロキシ-3,5,8-トリメチル-1,7-ジオキサスピロ[5.5]ウンデカ-10-エン-2-イル]ヘプタ-2,4-ジエン酸
  • (6S)-6-[(2S,3S,4R,5R,6S,8R,9S)-9-ethyl-4-hydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]hepta-2,4-dienoic acid
Other name (3)：
  • (6S)-6-[(2S,6S)-3β,5β,8α-Trimethyl-4β-hydroxy-9β-ethyl-1,7-dioxaspiro[5.5]undeca-10-ene-2β-yl]-2,4-heptadienoic acid
  • プテリジン酸B
  • Pteridicacid B
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