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(Q105005969)
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English
4-O-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl] 1-O-methyl butanedioate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-O-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl] 1-O-methyl butanedioate
1 reference
based on heuristic
inferred from SMILES
mass
400.261359632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₆O₄
0 references
canonical SMILES
O=C(OC)CCC(=O)OCC1(C)CCCC2(C3=CC=C(C=C3CCC21)C(C)C)C
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isomeric SMILES
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21
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found in taxon
Abies sibirica
1 reference
stated in
Triterpenoids fromAbies species 18. NMR spectra of abieslactone and its dehydro derivative
Abies spectabilis
1 reference
stated in
Systematic phytochemical investigation of Abies spectabilis.
Identifiers
InChI
InChI=1S/C25H36O4/c1-17(2)18-7-9-20-19(15-18)8-10-21-24(3,13-6-14-25(20,21)4)16-29-23(27)12-11-22(26)28-5/h7,9,15,17,21H,6,8,10-14,16H2,1-5H3/t21-,24-,25+/m0/s1
0 references
InChIKey
GBNDVFBBFXZTRE-GVXSCFBNSA-N
0 references
PubChem CID
15715173
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GBNDVFBBFXZTRE-GVXSCFBNSA-N
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