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(Q105284208)
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English
(Z)-2-[(2S,3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]but-2-ene-1,4-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-{3a,6,6,9a-tetramethyl-octahydro-1H-naphtho[2,1-b]furan-2-yl}but-2-ene-1,4-diol
1 reference
based on heuristic
inferred from SMILES
mass
322.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₄O₃
0 references
canonical SMILES
OCC=C(CO)C1OC2(C)CCC3C(C)(C)CCCC3(C)C2C1
0 references
isomeric SMILES
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@H](/C(=C\CO)CO)C[C@H]21
0 references
found in taxon
Lindheimera texana
1 reference
stated in
Cycloartanes from Lindheimera texana
Silphium laciniatum
1 reference
stated in
Digging Deep for New Compounds from the Compass Plant, Silphium laciniatum
Identifiers
InChI
InChI=1S/C20H34O3/c1-18(2)8-5-9-19(3)16(18)6-10-20(4)17(19)12-15(23-20)14(13-22)7-11-21/h7,15-17,21-22H,5-6,8-13H2,1-4H3/b14-7-/t15-,16-,17+,19-,20+/m0/s1
0 references
InChIKey
VDJRQWPXKKTRLI-TXIOFQNSSA-N
0 references
PubChem CID
122182471
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VDJRQWPXKKTRLI-TXIOFQNSSA-N
UniChem compound ID
147973083
1 reference
stated in
UniChem
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