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(Q104951466)
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English
methyl 4a-hydroxy-4,7,11b-trimethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylate
group of stereoisomers with the chemical formula C₂₁H₂₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
cassane diterpenoid
1 reference
inferred from
cassane diterpenoid
mass
342.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₄
0 references
canonical SMILES
O=C(OC)C1(C)CCCC2(C=3C=C4OC=CC4=C(C3CCC12O)C)C
0 references
found in taxon
Guilandina bonduc
1 reference
stated in
Caesalpinin B, a Rearranged Cassane Furanoditerpene of Caesalpinia bonduc
Identifiers
InChI
InChI=1S/C21H26O4/c1-13-14-6-10-21(23)19(2,8-5-9-20(21,3)18(22)24-4)16(14)12-17-15(13)7-11-25-17/h7,11-12,23H,5-6,8-10H2,1-4H3
0 references
InChIKey
CALDUYGLNFEUDP-UHFFFAOYSA-N
0 references
PubChem CID
85274489
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CALDUYGLNFEUDP-UHFFFAOYSA-N
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