Chem
J-GLOBAL ID:200907030364453554
Nikkaji number:J20.673C
Echinulin
エキヌリン
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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:
C29 H39 N3 O2
Molecular formula furigana:
C29-H39-N3-O2
Molecular weight:
461.650
InChI:
InChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
InChI key:
DIKMWTRJIZQJMY-CYFREDJKSA-N
SMILES:
C[C@@H]1NC(=O)[C@H](Cc2c([nH]c3c(CC=C(C)C)cc(CC=C(C)C)cc23)C(C)(C)C=C)NC1=O
Systematic name (5):
(3S,6S)-3-[[2-(1,1-ジメチル-2-プロペニル)-5,7-ビス(3-メチル-2-ブテニル)-1H-インドール-3-イル]メチル]-6-メチル-2,5-ピペラジンジオン
2-(1,1-ジメチル-2-プロペニル)-5,7-ジイソペンテニルシクロ(L-Trp-L-Ala-)
2-(1,1-ジメチルアリル)-3-[[(2S,5S)-3,6-ジオキソ-5-メチルピペラジン-2-イル]メチル]-5,7-ビス(3-メチル-2-ブテニル)-1H-インドール
(3S,6S)-3-{[5,7-ビス(3-メチルブタ-2-エン-1-イル)-2-(2-メチルブタ-3-エン-2-イル)-1H-インドール-3-イル]メチル}-6-メチルピペラジン-2,5-ジオン
(3S,6S)-3-{[5,7-bis(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6-methylpiperazine-2,5-dione
Other name (6):
エキヌリン
Echinulin
Echinuline
(3S,6S)-3-[[2-(1,1-Dimethyl-2-propenyl)-5,7-bis(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-6-methyl-2,5-piperazinedione
2-(1,1-Dimethyl-2-propenyl)-5,7-diisopentenylcyclo(L-Trp-L-Ala-)
2-(1,1-Dimethylallyl)-3-[[(2S,5S)-3,6-dioxo-5-methylpiperazine-2-yl]methyl]-5,7-bis(3-methyl-2-butenyl)-1H-indole
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CAS registry number:
1859-87-6
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