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(Q105030762)
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English
[(1S,3aR,4R,4aS,8aR,8bR)-1-hydroxy-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-4-yl] 3-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1-Hydroxy-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-4-yl) 3-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,3aS,4S,4aR,8aS,8bS)-1-hydroxy-4a,8,8,8a-tetramethyl-1,3,3a,4,5,6,7,8b-octahydroindeno[1,2-c]furan-4-yl] 3-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(OC1C2COC(O)C2C3(C)C(C)(C)CCCC13C)C=C(C)C
0 references
isomeric SMILES
CC(C)=CC(=O)O[C@@H]1[C@H]2CO[C@H](O)[C@H]2[C@]2(C)C(C)(C)CCC[C@]12C
0 references
found in taxon
Thapsia villosa
2 references
stated in
(8R,14S)-8-SENECIOYLOXY-14,15-EPOXYTHAPSAN-14-OL, NEW SESQUITERPENOID FROMTHAPSIA VILLOSAVAR.MINOR.A 2D NMR STUDY
stated in
Non-acetalic thapsane sesquiterpenoids from Thapsia villosa var. minor
Identifiers
InChI
InChI=1S/C20H32O4/c1-12(2)10-14(21)24-16-13-11-23-17(22)15(13)20(6)18(3,4)8-7-9-19(16,20)5/h10,13,15-17,22H,7-9,11H2,1-6H3/t13-,15-,16+,17-,19+,20+/m0/s1
0 references
InChIKey
HMZLPTZFNMJDIY-GPTASGHESA-N
0 references
PubChem CID
163190964
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HMZLPTZFNMJDIY-GPTASGHESA-N
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