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(Q77571532)
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Oxaloterpin A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
(7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl) 2-[acetyl(hydroxy)amino]-2-oxoacetate
1 reference
based on heuristic
inferred from SMILES
[(2R,4aR,7S)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] 2-[acetyl(hydroxy)amino]-2-oxoacetate
1 reference
based on heuristic
inferred from SMILES
mass
417.25152322
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2R,4aR,7R,8aS,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] 2-[acetyl(hydroxy)amino]-2-oxoacetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₅NO₅
0 references
canonical SMILES
O=C(OC1CCC2(C3=CCC(C=C)(C)CC3CCC2C1(C)C)C)C(=O)N(O)C(=O)C
0 references
isomeric SMILES
CC(=O)N(C(=O)C(=O)O[C@@H]1CC[C@@]2([C@@H](C1(C)C)CC[C@@H]3C2=CC[C@](C3)(C)C=C)C)O
0 references
found in taxon
Streptomyces
1 reference
stated in
Studies on Terpenoids Produced by Actinomycetes: Oxaloterpins A, B, C, D, and E, Diterpenes fromStreptomycessp. KO-3988
Identifiers
InChI
InChI=1S/C24H35NO5/c1-7-23(5)12-10-17-16(14-23)8-9-18-22(3,4)19(11-13-24(17,18)6)30-21(28)20(27)25(29)15(2)26/h7,10,16,18-19,29H,1,8-9,11-14H2,2-6H3/t16-,18+,19+,23-,24-/m0/s1
0 references
InChIKey
HNGLSAZJLQWHMF-LQBJFXQCSA-N
2 references
stated in
PubChem
PubChem CID
24178995
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
24178995
language of work or name
English
PubChem CID
24178995
2 references
stated in
PubChem
PubChem CID
24178995
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HNGLSAZJLQWHMF-LQBJFXQCSA-N
ChEBI ID
222590
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H35NO5/c1-7-23(5)12-10-17-16(14-23)8-9-18-22(3,4)19(11-13-24(17,18)6)30-21(28)20(27)25(29)15(2)26/h7,10,16,18-19,29H,1,8-9,11-14H2,2-6H3/t16-,18+,19+,23-,24-/m0/s1
UniChem compound ID
143284
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016442
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HNGLSAZJLQWHMF-LQBJFXQCSA-N
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