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(Q77508726)
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Cladosporide B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hydroxy-17-(1-hydroxypropan-2-yl)-4,10,13,14-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
386.282095076
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Cladosporide D
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₈O₃
0 references
canonical SMILES
O=CC1(C)C(O)CCC2(C3=CCC4(C)C(CCC4(C3=CCC12)C)C(C)CO)C
0 references
isomeric SMILES
C[C@H](CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)C=O)O)C)C)C
0 references
found in taxon
Cladosporium
2 references
stated in
New Pentanorlanostane Derivatives, Cladosporide B-D, as Characteristic Antifungal Agents Against Aspergillus fumigatus, Isolated from Cladosporium sp.
stated in
New Pentanorlanostane Derivatives, Cladosporide B-D, as Characteristic Antifungal Agents Against Aspergillus fumigatus, Isolated from Cladosporium sp.
Identifiers
InChI
InChI=1S/C25H38O3/c1-16(14-26)17-8-12-25(5)19-6-7-20-22(2,18(19)9-13-24(17,25)4)11-10-21(28)23(20,3)15-27/h6,9,15-17,20-21,26,28H,7-8,10-14H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25+/m1/s1
0 references
InChIKey
MVGVXWVKGZLRRK-KGEWIPHDSA-N
2 references
stated in
PubChem
PubChem CID
11825228
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11825228
language of work or name
English
PubChem CID
11825228
2 references
stated in
PubChem
PubChem CID
11825228
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MVGVXWVKGZLRRK-KGEWIPHDSA-N
ChEBI ID
224269
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H38O3/c1-16(14-26)17-8-12-25(5)19-6-7-20-22(2,18(19)9-13-24(17,25)4)11-10-21(28)23(20,3)15-27/h6,9,15-17,20-21,26,28H,7-8,10-14H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25+/m1/s1
UniChem compound ID
33952851
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012405
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MVGVXWVKGZLRRK-KGEWIPHDSA-N
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