Chem
J-GLOBAL ID:201107048564802345
Nikkaji number:J2.973.676F
Halichonadin G
ハリコナジンG
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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:
C36 H59 N3 O4
Molecular formula furigana:
C36-H59-N3-O4
Molecular weight:
597.885
InChI:
InChI=1S/C36H59N3O4/c1-22(2)26-14-18-35(7)16-10-12-24(5)30(35)32(26)37-28(40)20-39(21-29(41)43-9)34(42)38-33-27(23(3)4)15-19-36(8)17-11-13-25(6)31(33)36/h22-23,26-27,30-33H,5-6,10-21H2,1-4,7-9H3,(H,37,40)(H,38,42)/t26-,27-,30+,31+,32-,33-,35+,36+/m0/s1
InChI key:
FKZKCMSDFQKMCR-QRERAODLSA-N
SMILES:
COC(=O)CN(CC(=O)N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C)C(=O)N[C@H]1[C@@H](CC[C@@]2(C)CCCC(=C)[C@H]12)C(C)C
Systematic name (3):
[[[(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]カルバモイル][[[(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]カルバモイル]メチル]アミノ]酢酸メチル
メチル 2-({[(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}({[(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)アミノ)アセタート
methyl 2-({[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]carbamoyl}({[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-(propan-2-yl)-decahydronaphthalen-1-yl]carbamoyl}methyl)amino)acetate
Other name (3):
[[[(1S,8aβ)-2α-Isopropyl-4aα-methyl-8-methylenedecalin-1β-yl]carbamoyl][[[(1S,8aβ)-2α-isopropyl-4aα-methyl-8-methylenedecalin-1β-yl]carbamoyl]methyl]amino]acetic acid methyl ester
ハリコナジンG
Halichonadin G
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