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(Q120355331)
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English
9beta,19-cyclo-lanost-23Z-en-3beta,25-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cycloartane triterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
442.38108084
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1S,3R,6S,8S,11S,12R,15R,16R)-15-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Cycloart-23-en-3beta,25-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
cycloart-23-ene-3beta,25-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₀O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CC=CC(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@@]23C[C@]42CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3([H])[C@]2(C)CC[C@]([H])([C@@](C)([H])C/C=C\C(O)(C)C)[C@@]12C
0 references
Identifiers
InChI
InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8-/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
JSPGKOBNHWTKNT-GGXSAIRCSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
101690746
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JSPGKOBNHWTKNT-GGXSAIRCSA-N
UniChem compound ID
96691167
1 reference
stated in
UniChem
LIPID MAPS ID
LMST01100030
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
5 November 2023
InChIKey
JSPGKOBNHWTKNT-GGXSAIRCSA-N
based on heuristic
InChIKey match
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