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English
Sibiricinone D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
labdanes
0 references
mass
366.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
15-epi-Sibiricinone D
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
15-epi-Sibiricinone E
1 reference
based on heuristic
inferred from InChI
Sibiricinone E
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₄O₅
0 references
canonical SMILES
O=C1C(O)C2C(C)(C)CCCC2(C)C3(OC4(COC(OC)C4)CC3)C1C
0 references
isomeric SMILES
CO[C@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]23C)CO1
0 references
found in taxon
Leonurus sibiricus
2 references
stated in
Labdane diterpenes of Leonurus sibiricus
stated in
Labdane Diterpenes From Leonurus Persicus
Identifiers
InChI
InChI=1S/C21H34O5/c1-13-15(22)16(23)17-18(2,3)7-6-8-19(17,4)21(13)10-9-20(26-21)11-14(24-5)25-12-20/h13-14,16-17,23H,6-12H2,1-5H3/t13-,14-,16-,17+,19+,20-,21-/m1/s1
0 references
InChIKey
NZPBUNQOXRUEEE-XZIAOLDNSA-N
0 references
PubChem CID
15726754
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NZPBUNQOXRUEEE-XZIAOLDNSA-N
UniChem compound ID
66907872
1 reference
stated in
UniChem
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