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(Q82921106)
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English
Bicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4S,6R,7R)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
carabranes
0 references
mass
252.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Curcarabranol B
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄O₃
0 references
canonical SMILES
O=C(C)CCC1C2CC(C(=O)CC12C)C(O)(C)C
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isomeric SMILES
CC(=O)CC[C@@H]1[C@@H]2[C@]1(CC(=O)[C@@H](C2)C(C)(C)O)C
0 references
found in taxon
Curcuma zedoaria
4 references
stated in
Absolute stereostructure of carabrane-type sesquiterpene and vasorelaxant-active sesquiterpenes from Zedoariae Rhizoma
stated in
Hepatoprotective constituents from zedoariae rhizoma: absolute stereostructures of three new carabrane-type sesquiterpenes, curcumenolactones A, B, and C.
stated in
Absolute Stereostructures of Carabrane-Type Sesquiterpenes, Curcumenone, 4S-Dihydrocurcumenone, and Curcarabranols A and B: Vasorelaxant Activity of Zedoary Sesquiterpenes.
stated in
Medicinal foodstuffs. XXVIII. Inhibitors of nitric oxide production and new sesquiterpenes, zedoarofuran, 4-epicurcumenol, neocurcumenol, gajutsulactones A and B, and zedoarolides A and B, from Zedoariae Rhizoma
Identifiers
InChI
InChI=1S/C15H24O3/c1-9(16)5-6-10-11-7-12(14(2,3)18)13(17)8-15(10,11)4/h10-12,18H,5-8H2,1-4H3/t10-,11-,12-,15+/m1/s1
0 references
InChIKey
FARHRLFSUJIINR-BLTAXRJOSA-N
0 references
CAS Registry Number
213746-16-8
0 references
PubChem CID
154167
1 reference
matched by identifier from
InChIKey
InChIKey
FARHRLFSUJIINR-BLTAXRJOSA-N
UniChem compound ID
32150917
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60943929
1 reference
matched by identifier from
InChIKey
InChIKey
FARHRLFSUJIINR-BLTAXRJOSA-N
DSSTOX compound identifier
DTXCID601372286
0 references
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