Chem
J-GLOBAL ID：200907074596617186   Nikkaji number：J1.807.229G

Tabernamine

タベルナミン
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： C40H48N4O2
Molecular formula furigana： C40-H48-N4-O2
Molecular weight： 616.850
InChI： InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6-/t22-,23+,29+,30+,32+,35+,36+,39+/m1/s1
InChI key： MTARGWPMLJBYNG-YFCKTURXSA-N
SMILES： CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(ccc12)[C@@H]1C[C@@H]2[C@@H]([C@H](Cc3c1[nH]c1ccccc31)N(C)C/C/2=C/C)C(=O)OC
Systematic name  (3)：
  • (3S)-3-(イボガミン-13-イル)ボバサン-17-酸メチル
  • メチル (1S,12S,14R,15E,18S)-12-[(1R,15R,17S,18S)-17-エチル-3,13-ジアザペンタシクロ[13.3.1.02,10.04,9.013,18]ノナデカ-2(10),4,6,8-テトラエン-6-イル]-15-エチリデン-17-メチル-10,17-ジアザテトラシクロ[12.3.1.03,11.04,9]オクタデカ-3(11),4,6,8-テトラエン-18-カルボキシラート
  • methyl (1S,12S,14R,15E,18S)-12-[(1R,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-6-yl]-15-ethylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Other name (3)：
  • (3S)-3-(Ibogamine-13-yl)vobasan-17-oic acid methyl ester
  • タベルナミン
  • Tabernamine
KEGG COMPOUND： C09242
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