Chem
J-GLOBAL ID：200907071128607026   Nikkaji number：J13.926B

Protoverine

プロトベリン
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： C27H43NO9
Molecular formula furigana： C27-H43-N-O9
Molecular weight： 525.639
InChI： InChI=1S/C27H43NO9/c1-11-4-5-14-24(3,34)16-12(10-28(14)9-11)13-8-25-21(26(13,35)22(33)17(16)30)19(32)18(31)20-23(25,2)7-6-15(29)27(20,36)37-25/h11-22,29-36H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1
InChI key： CKJAABZFXLMMCS-MKKPLVDTSA-N
SMILES： C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@@]45O[C@@]6(O)[C@@H]([C@@H](O)[C@@H](O)[C@H]4[C@]3(O)[C@@H](O)[C@H](O)[C@@H]1[C@]2(C)O)[C@]5(C)CC[C@@H]6O
Systematic name  (3)：
  • 4α,9-エポキシセバン-3β,4,6α,7α,14,15α,16β,20-オクタオール
  • (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-6,10,19-トリメチル-24-オキサ-4-アザヘプタシクロ[12.12.0.02,11.04,9.015,25.018,23.019,25]ヘキサコサン-10,12,13,14,16,17,22,23-オクタオール
  • (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-10,12,13,14,16,17,22,23-octol
Other name (5)：
  • プロトベリン
  • Protoverine
  • プロテルベリン
  • Proterverine
  • 4α,9-Epoxycevane-3β,4,6α,7α,14,15α,16β,20-octol
CAS registry number： 76-45-9
Regulation number (1)：
  • FL5700000
KEGG COMPOUND： C10817
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