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(Q105154080)
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English
2-[(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propan-2-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(4b,8,8-Trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)propan-2-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
328.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₂
0 references
canonical SMILES
O=C(OC(C1=CC=C2C(=C1)CCC3C2(C)CCCC3(C)C)(C)C)C
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isomeric SMILES
CC(=O)OC(C)(C)c1ccc2c(c1)CC[C@H]1C(C)(C)CCC[C@]21C
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found in taxon
Abies pinsapo
1 reference
stated in
Terpenoids and sterols from the wood of Abies pinsapo
Identifiers
InChI
InChI=1S/C22H32O2/c1-15(23)24-21(4,5)17-9-10-18-16(14-17)8-11-19-20(2,3)12-7-13-22(18,19)6/h9-10,14,19H,7-8,11-13H2,1-6H3/t19-,22+/m0/s1
0 references
InChIKey
LMNZSAWWQSPBNF-SIKLNZKXSA-N
0 references
PubChem CID
163072272
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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