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(Q104397432)
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English
CID 11969862
group of stereoisomers with the chemical formula C₂₈H₃₉NO
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Statements
instance of
group of stereoisomers
0 references
subclass of
indole alkaloid
1 reference
inferred from
indole alkaloid
mass
405.30316486800007
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₈H₃₉NO
0 references
canonical SMILES
OC1CCC(C)C2(C)CCC(=C)C(CC3=CNC=4C=CC=CC43)C12CCC=C(C)C
0 references
isomeric SMILES
C=C1CCC2(C)[C@H](C)CC[C@H](O)C2(CCC=C(C)C)[C@@H]1Cc1c[nH]c2ccccc12
0 references
Identifiers
InChI
InChI=1S/C28H39NO/c1-19(2)9-8-15-28-24(17-22-18-29-25-11-7-6-10-23(22)25)20(3)14-16-27(28,5)21(4)12-13-26(28)30/h6-7,9-11,18,21,24,26,29-30H,3,8,12-17H2,1-2,4-5H3/t21-,24-,26+,27?,28?/m1/s1
0 references
InChIKey
BSSPRCKKWJRAJZ-JFRAZZIDSA-N
0 references
PubChem CID
11969862
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
63803777
1 reference
stated in
UniChem
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