Chem
J-GLOBAL ID:201507018853189671
Nikkaji number:J3.429.920J
Halichonadin Q
ハリコナジンQ
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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:
C23 H38 N2 O3
Molecular formula furigana:
C23-H38-N2-O3
Molecular weight:
390.568
InChI:
InChI=1S/C23H38N2O3/c1-15(2)17-10-12-23(4)11-6-8-16(3)20(23)21(17)24-19(26)14-25-13-7-9-18(25)22(27)28-5/h15,17-18,20-21H,3,6-14H2,1-2,4-5H3,(H,24,26)/t17-,18-,20+,21-,23+/m0/s1
InChI key:
UYCIOSPWQCUPMB-VQYHNWKHSA-N
SMILES:
COC(=O)[C@@H]1CCCN1CC(=O)N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C
Systematic name (3):
1-[2-[[(1S,8aβ)-2α-イソプロピル-4aα-メチル-8-メチレンデカリン-1β-イル]アミノ]-2-オキソエチル]ピロリジン-2α-カルボン酸メチル
メチル (2S)-1-({[(1S,2S,4aR,8aS)-4a-メチル-8-メチリデン-2-(プロパン-2-イル)-デカヒドロナフタレン-1-イル]カルバモイル}メチル)ピロリジン-2-カルボキシラート
methyl (2S)-1-({[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]carbamoyl}methyl)pyrrolidine-2-carboxylate
Other name (3):
1-[2-[[(1S,8aβ)-2α-Isopropyl-4aα-methyl-8-methylenedecalin-1β-yl]amino]-2-oxoethyl]pyrrolidine-2α-carboxylic acid methyl ester
ハリコナジンQ
Halichonadin Q
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