Bicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4S,6R,7R)- (Q82921106)

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chemical compound

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Language	Label	Description	Also known as
English	Bicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4S,6R,7R)-	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

carabranes

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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

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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

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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

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InChIKey

FARHRLFSUJIINR-BLTAXRJOSA-N

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CAS Registry Number

213746-16-8

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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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