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(Q110172760)
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English
[5-acetyloxy-4-(chloromethyl)-4-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl 2-methylbut-2-enoate
group of stereoisomers with the chemical formula C₂₇H₃₉ClO₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
510.238431268
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₉ClO₇
0 references
canonical SMILES
O=C1OCC(=C1)CCC2(C)C(C)CC(OC(=O)C)C3(COC(=O)C(=CC)C)C2CCCC3(O)CCl
0 references
found in taxon
Ajuga ciliata
1 reference
stated in
Bioactive neo-clerodane diterpenoids from the whole plants of Ajuga ciliata Bunge
Identifiers
InChI
InChI=1S/C27H39ClO7/c1-6-17(2)24(31)34-16-27-21(8-7-10-26(27,32)15-28)25(5,11-9-20-13-23(30)33-14-20)18(3)12-22(27)35-19(4)29/h6,13,18,21-22,32H,7-12,14-16H2,1-5H3
0 references
InChIKey
PUHCBNQOZVVESC-UHFFFAOYSA-N
0 references
PubChem CID
76392002
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PUHCBNQOZVVESC-UHFFFAOYSA-N
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