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Volvalerenic acid C

CAT: 0013-GTR19227833-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227833-01Size:1 mg
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Description
Volvalerenic acid C (CAS 1247014-36-3) is a research chemical used in life science studies. It serves as a biochemical tool for in vitro investigations, particularly in the exploration of natural product chemistry and related biological pathways.
CAS Number
1247014-36-3
Smiles
CC1 (C) [C@@H]2CCC (=C) [C@@H] (O) CC\C (=C\[C@H]12) C (O) =O
Molecular Formula
C15H22O3
Molecular Weight
250.338
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 154814128
CAS Number1247014-36-3
PubChem CID154814128
IUPAC Name(1S,2Z,6S,10R)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
Molecular FormulaC15H22O3
Molecular Weight250.33
XLogP2.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity406
SMILES
CC1([C@H]2[C@@H]1/C=C(/CC[C@@H](C(=C)CC2)O)\C(=O)O)C
InChI
InChI=1S/C15H22O3/c1-9-4-6-11-12(15(11,2)3)8-10(14(17)18)5-7-13(9)16/h8,11-13,16H,1,4-7H2,2-3H3,(H,17,18)/b10-8-/t11-,12+,13+/m1/s1
InChIKey
UFUCTYSVQPEEFA-PLTKCKCKSA-N
Chemical Structure
2D Structure
2D structure of CID 154814128
CAS: 1247014-36-3
CID: 154814128
Formula: C15H22O3
MW: 250.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.33
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass250.15689456
Monoisotopic Mass250.15689456
Topological Polar Surface Area57.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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