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Nicasterol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
412.370516156
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₈O
0 references
canonical SMILES
OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CC5C(CC)C5(C)C)C2(C)CC1
0 references
isomeric SMILES
CC[C@H]1[C@@H](C1(C)C)C[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
0 references
found in taxon
Calyx nicaeensis
1 reference
stated in
Minor and trace sterols from marine invertebrates. 50. Stereostructure and synthesis of nicasterol, a novel cyclopropane-containing sponge sterol
Identifiers
InChI
InChI=1S/C29H48O/c1-7-22-26(27(22,3)4)16-18(2)23-10-11-24-21-9-8-19-17-20(30)12-14-28(19,5)25(21)13-15-29(23,24)6/h8,18,20-26,30H,7,9-17H2,1-6H3/t18-,20+,21+,22+,23-,24+,25+,26+,28+,29-/m1/s1
0 references
InChIKey
HRNVWBIKQMSFHI-XWFIMXOTSA-N
0 references
PubChem CID
14680447
1 reference
matched by identifier from
InChIKey
InChIKey
HRNVWBIKQMSFHI-XWFIMXOTSA-N
SureChEMBL ID
SCHEMBL743769
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HRNVWBIKQMSFHI-XWFIMXOTSA-N
UniChem compound ID
30463426
1 reference
stated in
UniChem
LIPID MAPS ID
LMST01110013
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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