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12-epi-hapalindole U
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isocyanide
0 references
mass
304.193948768
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Hapalindole J
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
hapalindole H
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
hapalindole U
1 reference
based on heuristic
inferred from InChI
12-epi-hapalindole J isonitrile
1 reference
based on heuristic
inferred from InChI
12-epi-hapalindole H
1 reference
based on heuristic
inferred from InChI
(6aR,9S,10R,10aR)-10-isocyano-6,6,9-trimethyl-9-vinyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄N₂
0 references
canonical SMILES
[C-]#[N+]C1C2c3c[nH]c4cccc(c34)C(C)(C)C2CCC1(C)C=C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])C3=CNC4=CC=CC(=C43)C2(C)C)C=C
0 references
Identifiers
InChI
InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21+/m0/s1
0 references
InChIKey
SLUFHMQYBPOTFZ-BQBKMSKFSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
124081728
1 reference
matched by identifier from
InChIKey
InChIKey
SLUFHMQYBPOTFZ-BQBKMSKFSA-N
Reaxys registry number
28957191
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
140441
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21+/m0/s1
UniChem compound ID
150677475
1 reference
stated in
UniChem
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