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(Q105136003)
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English
(4aS,7S,8aS,10aR)-7-[(1S)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydrophenanthren-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-(1,2-Dihydroxyethyl)-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydrophenanthren-2-one
1 reference
based on heuristic
inferred from SMILES
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aS,7S,8aS,10aR)-7-[(1R)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydrophenanthren-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₃
0 references
canonical SMILES
O=C1CCC2(C3=CCC(C)(CC3CCC2C1(C)C)C(O)CO)C
0 references
isomeric SMILES
CC1(C)C(=O)CC[C@]2(C)C3=CC[C@](C)([C@H](O)CO)C[C@@H]3CC[C@@H]12
0 references
found in taxon
Ambrosia arborescens
1 reference
stated in
Sesquiterpenes and diterpenes from Ambrosia arborescens
Identifiers
InChI
InChI=1S/C20H32O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h7,13,15,17,21,23H,5-6,8-12H2,1-4H3/t13-,15-,17+,19-,20+/m0/s1
0 references
InChIKey
JVWZWSDWGZGHPG-IHGOUVDKSA-N
0 references
PubChem CID
46223442
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JVWZWSDWGZGHPG-IHGOUVDKSA-N
UniChem compound ID
32316578
1 reference
stated in
UniChem
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