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English
Spirodihydrobenzofuranlactam VI
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
drimane sesquiterpenoid
0 references
isoindole alkaloid
0 references
mass
882.50304644
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₂H₇₀N₂O₁₀
0 references
canonical SMILES
O=C(O)C(N1C(=O)C2=CC=3OC4(CC3C(O)=C2C1)C(C)CCC5C(C)(C)C(O)CCC54C)CCCCN6C(=O)C7=CC=8OC9(CC8C(O)=C7C6)C(C)CCC%10C(C)(C)C(O)CCC%109C
0 references
found in taxon
Stachybotrys
1 reference
stated in
Novel spirodihydrobenzofuranlactams as antagonists of endothelin and as inhibitors of HIV-1 protease produced by Stachybotrys sp. II. Structure determination
Identifiers
InChI
InChI=1S/C52H70N2O10/c1-27-12-14-38-47(3,4)40(55)16-18-49(38,7)51(27)23-31-36(63-51)21-29-33(42(31)57)25-53(44(29)59)20-10-9-11-35(46(61)62)54-26-34-30(45(54)60)22-37-32(43(34)58)24-52(64-37)28(2)13-15-39-48(5,6)41(56)17-19-50(39,52)8/h21-22,27-28,35,38-41,55-58H,9-20,23-26H2,1-8H3,(H,61,62)
0 references
InChIKey
BAOXTRUCPUGSIU-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
10418218
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10418218
language of work or name
English
PubChem CID
10418218
2 references
stated in
PubChem
PubChem CID
10418218
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BAOXTRUCPUGSIU-UHFFFAOYSA-N
ChEBI ID
221136
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C52H70N2O10/c1-27-12-14-38-47(3,4)40(55)16-18-49(38,7)51(27)23-31-36(63-51)21-29-33(42(31)57)25-53(44(29)59)20-10-9-11-35(46(61)62)54-26-34-30(45(54)60)22-37-32(43(34)58)24-52(64-37)28(2)13-15-39-48(5,6)41(56)17-19-50(39,52)8/h21-22,27-28,35,38-41,55-58H,9-20,23-26H2,1-8H3,(H,61,62)
UniChem compound ID
33714781
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011801
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BAOXTRUCPUGSIU-UHFFFAOYSA-N
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