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(Q105115729)
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English
ent-Norambreinolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3Ar,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
250.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,5aR,9aS,9bS)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
sclareolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₆O₂
0 references
canonical SMILES
O=C1OC2(C)CCC3C(C)(C)CCCC3(C)C2C1
0 references
isomeric SMILES
CC1(C)CCC[C@@]2(C)[C@@H]3CC(=O)O[C@@]3(C)CC[C@H]12
0 references
found in taxon
Sideritis nutans
1 reference
stated in
Ent-norambreinolide from Sideritis nutans
Identifiers
InChI
InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m1/s1
0 references
InChIKey
IMKJGXCIJJXALX-KOZAUXTDSA-N
0 references
CAS Registry Number
79768-41-5
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
22850643
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IMKJGXCIJJXALX-KOZAUXTDSA-N
UniChem compound ID
27140764
1 reference
stated in
UniChem
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