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(Q77310130)
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Chevalone D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4b,7,7,10a,12a-pentamethyl-3-oxo-2-(2-oxopropylidene)-decahydro-4H-phenanthro[2,1-b]pyran-8-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
444.28757438
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(4aS,4bR,6aR,8S,10aR,10bR,12aS)-4b,7,7,10a,12a-pentamethyl-3-oxo-2-(2-oxopropylidene)-4a,5,6,6a,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]chromen-8-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₀O₅
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C4CC(=O)C(OC4(C)CCC32)=CC(=O)C)C1(C)C)C
0 references
isomeric SMILES
CC(=O)/C=C/1\C(=O)C[C@H]2[C@@]3(CC[C@@H]4[C@@]([C@H]3CC[C@@]2(O1)C)(CC[C@@H](C4(C)C)OC(=O)C)C)C
0 references
found in taxon
Aspergillus chevalieri
2 references
stated in
Bioactive meroterpenoids and alkaloids from the fungus Eurotium chevalieri
stated in
Bioactive meroterpenoids and alkaloids from the fungus Eurotium chevalieri
Identifiers
InChI
InChI=1S/C27H40O5/c1-16(28)14-19-18(30)15-22-26(6)11-8-20-24(3,4)23(31-17(2)29)10-12-25(20,5)21(26)9-13-27(22,7)32-19/h14,20-23H,8-13,15H2,1-7H3/b19-14+/t20-,21+,22-,23-,25-,26+,27-/m0/s1
0 references
InChIKey
ZVXZSCMKLHUURH-XJFGCCAISA-N
2 references
stated in
PubChem
PubChem CID
53474391
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
53474391
language of work or name
English
PubChem CID
53474391
2 references
stated in
PubChem
PubChem CID
53474391
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ZVXZSCMKLHUURH-XJFGCCAISA-N
ChEBI ID
201292
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C27H40O5/c1-16(28)14-19-18(30)15-22-26(6)11-8-20-24(3,4)23(31-17(2)29)10-12-25(20,5)21(26)9-13-27(22,7)32-19/h14,20-23H,8-13,15H2,1-7H3/b19-14+/t20-,21+,22-,23-,25-,26+,27-/m0/s1
UniChem compound ID
33327359
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004334
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZVXZSCMKLHUURH-XJFGCCAISA-N
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