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3-epi-Cycloeucalenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Epicycloeucalenol
1 reference
based on heuristic
inferred from SMILES
(6S,7S,12S,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
1 reference
based on heuristic
inferred from SMILES
mass
426.38616622
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1S,3R,6S,7S,8R,11R,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
1 reference
based on heuristic
inferred from InChI
cycloeucalenol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₀O
0 references
canonical SMILES
OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1C)C(C)CCC(=C)C(C)C
0 references
isomeric SMILES
C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C
0 references
Identifiers
InChI
InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+/m1/s1
0 references
InChIKey
HUNLTIZKNQDZEI-JXXYSSPJSA-N
0 references
PubChem CID
44423591
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HUNLTIZKNQDZEI-JXXYSSPJSA-N
UniChem compound ID
337039
1 reference
stated in
UniChem
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