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Drimane

CAT: 0013-GTR19224124-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224124-01Size:100 mg
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Description
Drimane is a bicyclic sesquiterpene scaffold serving as the core structure for numerous bioactive natural products. It is utilized in research areas such as antimicrobial and anticancer studies, with derivatives investigated in both in vitro and in vivo experimental models.
CAS Number
5951-58-6
Smiles
[H][C@@]12CC[C@H] (C) [C@H] (C) [C@@]1 (C) CCCC2 (C) C
Molecular Formula
C15H28
Molecular Weight
208.389
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Drimane

Drimane is a sesquiterpene and a terpenoid fundamental parent.

CAS Number5951-58-6
PubChem CID9548719
IUPAC Name(1S,2S,4aS,8aR)-1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Molecular FormulaC15H28
Molecular Weight208.38
XLogP6.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity240
SMILES
C[C@H]1CC[C@@H]2[C@@]([C@H]1C)(CCCC2(C)C)C
InChI
InChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3/t11-,12-,13-,15+/m0/s1
InChIKey
CVRSZZJUWRLRDE-PWNZVWSESA-N
Chemical Structure
2D Structure
2D structure of Drimane
CAS: 5951-58-6
CID: 9548719
Formula: C15H28
MW: 208.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.38
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass208.219100893
Monoisotopic Mass208.219100893
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity240
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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