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(Q110198601)
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English
CID 74347836
group of stereoisomers with the chemical formula C₄₀H₅₂O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
724.345877104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₀H₅₂O₁₂
0 references
canonical SMILES
O=C1OC2CCC(C)(C)C3C(O)OCC23C4C(O)CC5CC14C(=O)C65CCC76C(=O)C89C(=O)OC%10CCC(C)(C)C%11C(O)OCC%10%11C9C(O)CC7C8
0 references
found in taxon
Isodon japonicus
1 reference
stated in
Symmetric and asymmetric ent-kaurane dimers isolated from Isodon japonicus
Identifiers
InChI
InChI=1S/C40H52O12/c1-33(2)7-5-21-37(15-49-27(43)25(33)37)23-19(41)11-17-13-35(23,31(47)51-21)29(45)39(17)9-10-40(39)18-12-20(42)24-36(14-18,30(40)46)32(48)52-22-6-8-34(3,4)26-28(44)50-16-38(22,24)26/h17-28,41-44H,5-16H2,1-4H3
0 references
InChIKey
FRISNZVTWBZYHP-UHFFFAOYSA-N
0 references
PubChem CID
74347836
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FRISNZVTWBZYHP-UHFFFAOYSA-N
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