Chem
J-GLOBAL ID：201307003604505250   Nikkaji number：J3.218.324G

Walsoyne F

ワルソギンF
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： C31H38O9
Molecular formula furigana： C31-H38-O9
Molecular weight： 554.636
InChI： InChI=1S/C31H38O9/c1-7-16(2)25(35)39-24-21-22-27(3,15-38-21)10-8-19(33)29(22,5)23-26(36)40-31(30(23,24)6)20(34)12-18(28(31,4)14-32)17-9-11-37-13-17/h7-11,13-14,18,20-24,26,34,36H,12,15H2,1-6H3/t18-,20-,21+,22-,23-,24+,26?,27-,28-,29-,30-,31+/m0/s1
InChI key： CVMLQJDEPBAMRW-PHKGHPMLSA-N
SMILES： CC=C(C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)C=CC(=O)[C@@](C)([C@@H]23)[C@@H]2C(O)O[C@@]3([C@@H](O)C[C@@H](c4ccoc4)[C@]3(C)C=O)[C@]12C
Systematic name  (3)：
  • (3S,3aS)-1,2′β-ジヒドロキシ-4α-(2-メチル-2-ブテノイルオキシ)-4′β-(3-フリル)-3aβ,5′β,6,9aβ-テトラメチル-5′-ホルミル-5α,6α-(エポキシメタノ)-3a,4,5,5aα,6,9,9a,9bβ-オクタヒドロスピロ[ナフト[1,2-c]フラン-3(1H),1′-シクロペンタン]-9-オン
  • (1S,1'S,2S,2'R,3S,5S,6'S,7'S,8'R,11'R,15'S)-2-ホルミル-3-(フラン-3-イル)-3',5-ジヒドロキシ-1',2,6',11'-テトラメチル-14'-オキソ-4',9'-ジオキサスピロ[シクロペンタン-1,5'-テトラシクロ[6.6.1.02,6.011,15]ペンタデカン]-12'-エン-7'-イル 2-メチルブタ-2-エノアート
  • (1S,1'S,2S,2'R,3S,5S,6'S,7'S,8'R,11'R,15'S)-2-formyl-3-(furan-3-yl)-3',5-dihydroxy-1',2,6',11'-tetramethyl-14'-oxo-4',9'-dioxaspiro[cyclopentane-1,5'-tetracyclo[6.6.1.02,6.011,15]pentadecan]-12'-en-7'-yl 2-methylbut-2-enoate
Other name (3)：
  • (3S,3aS)-1,2′β-Dihydroxy-4α-(2-methyl-2-butenoyloxy)-4′β-(3-furyl)-3aβ,5′β,6,9aβ-tetramethyl-5′-formyl-5α,6α-(epoxymethano)-3a,4,5,5aα,6,9,9a,9bβ-octahydrospiro[naphtho[1,2-c]furan-3(1H),1′-cyclopentane]-9-one
  • ワルソギンF
  • Walsoyne F
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