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(Q72486545)
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Isosalvipuberulin
chemical compound
Isopuberulin
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Statements
instance of
type of chemical entity
0 references
subclass of
(8R)-8-(3-Furanyl)-4,8-dihydro-7-methyl-3H-furo[3',4':3,4]cyclohept[1,2-f]isobenzofuran-3,10(1H)-dione; Isopuberulin
1 reference
based on heuristic
inferred from SMILES
mass
334.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₄O₅
0 references
canonical SMILES
O=C1OC(C2=COC=C2)C3=C1C=C4C(C=CCC=5C(=O)OCC45)=C3C
0 references
isomeric SMILES
Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)C1=C(CC=C2)C(=O)OC1
0 references
found in taxon
Salvia tiliaefolia
1 reference
stated in
Tilifodiolide, tetraline-type diterpenoid of clerodanic origin from Salvia tiliaefolia
Salvia leucantha
1 reference
stated in
A novel diterpenoid with a rearranged neoclerodane skeleton from Salvia leucantha CAV.
Salvia dugesii
1 reference
stated in
Novel Diterpenoids fromSalvia dugesii
Salvia melissodora
1 reference
stated in
Novel Diterpenoids fromSalvia dugesii
Identifiers
InChI
InChI=1S/C20H14O5/c1-10-12-3-2-4-13-16(9-24-19(13)21)14(12)7-15-17(10)18(25-20(15)22)11-5-6-23-8-11/h2-3,5-8,18H,4,9H2,1H3/t18-/m0/s1
0 references
InChIKey
HIBSGIRHUQGFAD-SFHVURJKSA-N
0 references
CAS Registry Number
115321-32-9
0 references
PubChem CID
189288
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57420165
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10921671
1 reference
matched by identifier from
InChIKey
InChIKey
HIBSGIRHUQGFAD-SFHVURJKSA-N
DSSTOX compound identifier
DTXCID001350561
0 references
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