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(Q104400987)
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Asperdiol acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[6-hydroxy-10,14-dimethyl-7-(prop-1-en-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
362.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
15-Oxabicyclo(12.1.0)pentadeca-4,10-diene-4-methanol, 6-hydroxy-10,14-dimethyl-7-(1-methylethenyl)-, 4-acetate, (1S,4E,6S,7R,10E,14S)-
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(OCC1=CC(O)C(C(=C)C)CCC(=CCCC2(OC2CC1)C)C)C
0 references
isomeric SMILES
C=C(C)[C@H]1CC/C(C)=C/CC[C@@]2(C)O[C@@H]2CC/C(COC(C)=O)=C\[C@@H]1O
0 references
found in taxon
Eunicea knighti
1 reference
stated in
Cembranoid diterpenes from the Caribbean sea whip Eunicea knighti
Eunicea succinea
2 references
stated in
New cembranoid diterpenes and a geranylgeraniol derivative from the common Caribbean sea whip Eunicea succinea
stated in
New cembranoid diterpenes and a geranylgeraniol derivative from the common Caribbean sea whip Eunicea succinea
Identifiers
InChI
InChI=1S/C22H34O4/c1-15(2)19-10-8-16(3)7-6-12-22(5)21(26-22)11-9-18(13-20(19)24)14-25-17(4)23/h7,13,19-21,24H,1,6,8-12,14H2,2-5H3/b16-7+,18-13+/t19-,20+,21-,22-/m1/s1
0 references
InChIKey
XHPIEOZMYVAMEY-GCUFCZPASA-N
0 references
PubChem CID
10594833
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XHPIEOZMYVAMEY-GCUFCZPASA-N
UniChem compound ID
217610
1 reference
stated in
UniChem
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