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(Q105132700)
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English
[2-[4,8-diacetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate
group of stereoisomers with the chemical formula C₃₁H₄₄O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
mass
592.2883622279999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₄O₁₁
0 references
canonical SMILES
O=C1OCC(=C1)C(OC(=O)C(C)CC)CC2(C)C(C)CC(OC(=O)C)C3(COC(=O)C)C2C(OC(=O)C)CCC43OC4
0 references
found in taxon
Ajuga macrosperma
1 reference
stated in
Neo-clerodane diterpenoids from ajuga macrosperma and ajuga pantantha
Identifiers
InChI
InChI=1S/C31H44O11/c1-8-17(2)28(36)42-24(22-12-26(35)37-14-22)13-29(7)18(3)11-25(41-21(6)34)31(16-38-19(4)32)27(29)23(40-20(5)33)9-10-30(31)15-39-30/h12,17-18,23-25,27H,8-11,13-16H2,1-7H3
0 references
InChIKey
JPFTWOXTEMZXOG-UHFFFAOYSA-N
0 references
PubChem CID
14356969
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JPFTWOXTEMZXOG-UHFFFAOYSA-N
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