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(Q77378723)
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cortistatin H
Bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
cortistatins
0 references
chemical structure
Cortistatin H.svg
512 × 338; 50 KB
0 references
mass
460.34536402799995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₁H₄₄N₂O
0 references
canonical SMILES
N=1C=CC(=C(C1)C)CCC(C)C2CCC3C45OC6(C(C=C4CCC23C)=CCC(N(C)C)C6)CC5
0 references
isomeric SMILES
Cc1cnccc1CCC(C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)CC=C5C=C3CC[C@]12C)O4
0 references
Identifiers
InChI
InChI=1S/C31H44N2O/c1-21(6-7-23-13-17-32-20-22(23)2)27-10-11-28-29(27,3)14-12-25-18-24-8-9-26(33(4)5)19-30(24)15-16-31(25,28)34-30/h8,13,17-18,20-21,26-28H,6-7,9-12,14-16,19H2,1-5H3/t21?,26-,27-,28-,29-,30-,31-/m1/s1
0 references
InChIKey
XWJPSPMNDHNLFX-RHIQJKQESA-N
2 references
stated in
PubChem
PubChem CID
44437250
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44437250
language of work or name
English
PubChem CID
44437250
1 reference
stated in
PubChem
PubChem CID
44437250
language of work or name
English
UniChem compound ID
361277
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006520
1 reference
based on heuristic
inferred from InChIKey
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