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(Q82885671)
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15-Deacetylsergeolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
462.152597032
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₆O₁₀
0 references
canonical SMILES
O=C1OC2=CC3(C)C(CC4OC(=O)C(O)C5C6(OCC45C3C(O)C6O)C(=O)OC)C(C2=C1)C
0 references
Identifiers
InChI
InChI=1S/C23H26O10/c1-8-9-4-13(24)32-11(9)6-21(2)10(8)5-12-22-7-31-23(20(29)30-3,18(27)14(25)16(21)22)17(22)15(26)19(28)33-12/h4,6,8,10,12,14-18,25-27H,5,7H2,1-3H3
0 references
InChIKey
NPWJHTWCKHUSAM-UHFFFAOYSA-N
0 references
CAS Registry Number
95732-45-9
0 references
PubChem CID
125729
2 references
stated in
PubChem
retrieved
4 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NPWJHTWCKHUSAM-UHFFFAOYSA-N
UniChem compound ID
27232873
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40914834
1 reference
matched by identifier from
InChIKey
InChIKey
NPWJHTWCKHUSAM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301343820
0 references
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