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(Q59159910)
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English
scabrolide A
chemical compound
(2aR,4S,4aR,9S,10bR,10cR)-4-hydroxy-4-methyl-9-(prop-1-en-2-yl)-2a,3,4,4a,6,8,9,10,10b,10c-decahydro-1H-cyclohepta[5,6]indeno[1,7-bc]furan-1,5,7-trione
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Statements
instance of
type of chemical entity
0 references
subclass of
organic compound
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chemical structure
Scabrolide A.png
250 × 250; 7 KB
0 references
mass
330.1467238039999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1S,4R,10S,11R,13S,16S)-11-hydroxy-11-methyl-4-prop-1-en-2-yl-14-oxatetracyclo[8.5.1.02,8.013,16]hexadec-2(8)-ene-6,9,15-trione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₂O₅
0 references
canonical SMILES
O=C1OC2CC(O)(C)C3C(=O)C4=C(CC(C(=C)C)CC(=O)C4)C1C23
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isomeric SMILES
CC(=C)[C@@H]1CC(=O)CC2=C(C1)[C@H]3[C@@H]4[C@@H](C[C@]([C@@H]4C2=O)(C)O)OC3=O
0 references
found in taxon
Sinularia scabra
2 references
stated in
Scabrolides A-D, four new norditerpenoids isolated from the soft coral Sinularia scabra.
stated in
Scabrolides A-D, four new norditerpenoids isolated from the soft coral Sinularia scabra.
Sinularia gyrosa
2 references
stated in
Bioactive norditerpenoids from the soft coral Sinularia gyrosa.
stated in
Bioactive norditerpenoids from the soft coral Sinularia gyrosa.
Sinularia maxima
1 reference
stated in
Anti-inflammatory norditerpenoids from the soft coral Sinularia maxima
Identifiers
InChI
InChI=1S/C19H22O5/c1-8(2)9-4-10(20)6-12-11(5-9)14-15-13(24-18(14)22)7-19(3,23)16(15)17(12)21/h9,13-16,23H,1,4-7H2,2-3H3/t9-,13-,14+,15+,16+,19+/m1/s1
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InChIKey
IIISAONBGZMBOM-VVWFSPNESA-N
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CAS Registry Number
479201-56-4
0 references
PubChem CID
637063
0 references
UniChem compound ID
2223
1 reference
stated in
UniChem
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