Ambrocenide

CAT: 0013-GTR19260131-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19260131-02Size:50 mg

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Description

Ambrocenide

CAS Number

211299-54-6

Purity

>98% (HPLC)

Molecular Formula

C18H30O2

Molecular Weight

278.4

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

4H-4a,9-Methanoazuleno[5,6-d]-1,3-dioxole, octahydro-2,2,5,8,8,9a-hexamethyl-, (4aR,5R,7aS,9R)-

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CAS Number	211299-54-6
PubChem CID	66731260
IUPAC Name	(1R,8R,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
Molecular Formula	C18H30O2
Molecular Weight	278.4
XLogP	4.5
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	20
Formal Charge	0
Complexity	454

SMILES

C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C4(C(C3)OC(O4)(C)C)C

InChI

InChI=1S/C18H30O2/c1-11-7-8-12-15(2,3)13-9-18(11,12)10-14-17(13,6)20-16(4,5)19-14/h11-14H,7-10H2,1-6H3/t11-,12+,13-,14?,17?,18-/m1/s1

InChIKey

YJVLDTISLGRQTJ-KPFXUCSBSA-N

Chemical Structure

2D Structure

CAS: 211299-54-6

CID: 66731260

Formula: C18H30O2

MW: 278.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	278.4
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	278.224580195
Monoisotopic Mass	278.224580195
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	454
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M39253	Ambrocenide