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(Q104399829)
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English
Methyl homodaphniphyllate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 3-[(1S,2R,3S,7R,10S,13S,14S)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]propanoate
1 reference
based on heuristic
inferred from SMILES
mass
359.282429424
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₇NO₂
0 references
canonical SMILES
O=C(OC)CCC12C3N4CC(CCC45CCCC51)C2(C)CCC3C(C)C
0 references
isomeric SMILES
COC(=O)CC[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@@]4(CCC[C@H]42)N3C1
0 references
found in taxon
Daphniphyllum calycinum
2 references
stated in
Alkaloids from the Leaves of Daphniphyllum longeracemosum
stated in
Alkaloids from the leaves of Daphniphyllum longeracemosum
Daphniphyllum oldhamii
1 reference
stated in
Dapholdhamines A-D, alkaloids from Daphniphyllum oldhami
Daphniphyllum pentandrum
1 reference
stated in
Dapholdhamines A-D, alkaloids from Daphniphyllum oldhami
Daphniphyllum subverticillatum
1 reference
stated in
Alkaloids from the leaves of Daphniphyllum subverticillatum
Identifiers
InChI
InChI=1S/C23H37NO2/c1-15(2)17-8-11-21(3)16-7-12-22-10-5-6-18(22)23(21,13-9-19(25)26-4)20(17)24(22)14-16/h15-18,20H,5-14H2,1-4H3/t16-,17-,18-,20+,21+,22-,23+/m1/s1
0 references
InChIKey
NTGCSTZYSQEIFW-KRCCOEDOSA-N
0 references
PubChem CID
102058172
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97601727
1 reference
stated in
UniChem
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