Chem
J-GLOBAL ID：200907088250238309   Nikkaji number：J17.934E

Anopterine

アノプテリン
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： C31H43NO7
Molecular formula furigana： C31-H43-N-O7
Molecular weight： 541.685
InChI： InChI=1S/C31H43NO7/c1-8-15(3)26(35)38-22-20-17(5)10-29-13-19(34)31(37)28(6)11-18(33)12-30(31,25(21(20)29)32(7)14-28)24(29)23(22)39-27(36)16(4)9-2/h8-9,18-25,33-34,37H,5,10-14H2,1-4,6-7H3/b15-8+,16-9+/t18-,19-,20-,21+,22+,23+,24+,25+,28-,29-,30-,31-/m0/s1
InChI key： PISLVTVZMHAKFK-BVIOLJJUSA-N
SMILES： C/C=C(\C)/C(=O)O[C@@H]1[C@@H]2[C@@H]3[C@H]4N(C)C[C@]5(C)C[C@H](O)C[C@@]64[C@H]([C@@H]1OC(=O)/C(=C/C)/C)[C@@]3(CC2=C)C[C@H](O)[C@]56O
Systematic name  (3)：
  • (14S,20R)-4,21-ジメチル-16-メチレン-14,20-シクロベアトカン-2α,5,6α,11α,12α-ペンタオール11,12-ビス[(E)-2-メチル-2-ブテノアート]
  • (1S,3S,4S,5S,7S,9S,12R,13S,14R,15R,16S,17R)-3,4,7-トリヒドロキシ-9,11-ジメチル-16-{[(2E)-2-メチルブタ-2-エノイル]オキシ}-19-メチリデン-11-アザヘキサシクロ[12.3.2.01,13.04,9.05,12.05,17]ノナデカン-15-イル (2E)-2-メチルブタ-2-エノアート
  • (1S,3S,4S,5S,7S,9S,12R,13S,14R,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-{[(2E)-2-methylbut-2-enoyl]oxy}-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl (2E)-2-methylbut-2-enoate
Other name (3)：
  • アノプテリン
  • Anopterine
  • (14S,20R)-4,21-Dimethyl-16-methylene-14,20-cycloveatchane-2α,5,6α,11α,12α-pentol 11,12-bis[(E)-2-methyl-2-butenoate]
CAS registry number： 38826-62-9
KEGG COMPOUND： C08658
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