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(Q104992172)
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English
[1,3-Diacetyloxy-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] butanoate
group of stereoisomers with the chemical formula C₂₈H₄₀O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
mass
520.26723286
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₀O₉
0 references
canonical SMILES
O=C(OC1OC(OC(=O)C)C23C1=CC(OC(=O)CCC)CC2C(C)(CCC(=C)C=C)C(C)C(O)C3O)C
0 references
Identifiers
InChI
InChI=1S/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3
0 references
InChIKey
FACSSBRLFWVHQA-UHFFFAOYSA-N
0 references
PubChem CID
162919275
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FACSSBRLFWVHQA-UHFFFAOYSA-N
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