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(Q105282209)
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English
methyl 3-[(5R)-5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),9,13,15,17,19-octaen-9-yl]propanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 3-{5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,⁶.0⁷,¹¹.0¹³,¹⁸]icosa-1(12),2(6),7(11),9,13(18),14,16,19-octaen-9-yl}propanoate
1 reference
based on heuristic
inferred from SMILES
mass
375.147058152
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₁NO₄
0 references
canonical SMILES
O=C(OC)CCC1=NC=2C(O1)=C3C(OCC3C)=C4C=CC5=C(C=CC=C5C)C24
0 references
isomeric SMILES
COC(=O)CCc1nc2c(o1)c1c(c3ccc4c(C)cccc4c32)OC[C@@H]1C
0 references
found in taxon
Salvia yunnanensis
1 reference
stated in
Abietane diterpene alkaloids from Salvia yunnanensis
Identifiers
InChI
InChI=1S/C23H21NO4/c1-12-5-4-6-15-14(12)7-8-16-20(15)21-23(19-13(2)11-27-22(16)19)28-17(24-21)9-10-18(25)26-3/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
0 references
InChIKey
UZHLEQHVXZSVAX-ZDUSSCGKSA-N
0 references
PubChem CID
11675199
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
UZHLEQHVXZSVAX-ZDUSSCGKSA-N
UniChem compound ID
33156468
1 reference
stated in
UniChem
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