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(Q76512014)
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English
Cerin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
friedelane triterpenoid
0 references
mass
442.38108084
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,4R,4aR,6aS,6aS,6bR,8aR,12aR,14aS,14bR)-2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₃₀H₅₀O₂
0 references
canonical SMILES
O=C1C(O)CC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CCC5(C)CCC34C)C1C
0 references
isomeric SMILES
C[C@H]1C(=O)[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C)O
0 references
found in taxon
Diospyros iturensis
1 reference
stated in
Naphthoquinones and triterpenes from african Diospyros species
Maytenus canariensis
2 references
stated in
Triterpenes from Maytenus canariensis and synthesis of a derivative from betulin
stated in
β-Agarofurane sesquiterpene esters from Maytenus canariensis
Identifiers
InChI
InChI=1S/C30H50O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19-23,31H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,26+,27+,28+,29+,30-/m0/s1
0 references
InChIKey
DSEKYWAQQVUQTP-XEWMWGOFSA-N
0 references
PubChem CID
21596125
1 reference
matched by identifier from
InChIKey
InChIKey
DSEKYWAQQVUQTP-XEWMWGOFSA-N
SureChEMBL ID
SCHEMBL168229
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DSEKYWAQQVUQTP-XEWMWGOFSA-N
UniChem compound ID
275573
1 reference
stated in
UniChem
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