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Germacrene B

CAT: 0572-TRC-G367773-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G367773-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15423-57-1
Synonyms
(E,E)-Germacra-1(10),4,7(11)-triene; (1E,5E)-1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene; Germacra-1(10),4,7(11)-triene
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C/C(C)=C1CC/C(C)=C\CC/C(C)=C/C\1
Molecular Formula
C15H24
Molecular Weight
204.36
InChI
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6-,14-9+
Additionnal Information
IUPAC name: (1Z,5E)-1,5-dimethyl-8-(propan-2-ylidene)cyclodeca-1,5-diene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Germacrene B

(1E,4E)-germacrene B is a germacrene B.

CAS Number15423-57-1
PubChem CID5281519
IUPAC Name(1E,5E)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity296
SMILES
C/C/1=C\CC/C(=C/CC(=C(C)C)CC1)/C
InChI
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+
InChIKey
GXEGJTGWYVZSNR-SJRHNVSNSA-N
Chemical Structure
2D Structure
2D structure of Germacrene B
CAS: 15423-57-1
CID: 5281519
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes