4-Cadinen-7-ol

CAT: 0926-SIA65027-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-SIA65027-01Size:5 mg

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CAS Number

217650-27-6

MDL Number

MFCD20260919

Smiles

CC1CCC (C2C1CCC (=C2) C) (C (C) C) O

Molecular Formula

C15H26O

Molecular Weight

222.37 g/mol

Controlled

Chemical Information

CID 91895387

cyclo (Val-Phe) (M8) has been reported in Ageratina adenophora with data available.

CAS Number	217650-27-6
PubChem CID	91895387
IUPAC Name	(1R,4R,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ol
Molecular Formula	C15H26O
Molecular Weight	222.37
XLogP	3.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	292

SMILES

C[C@@H]1CC[C@]([C@@H]2[C@H]1CCC(=C2)C)(C(C)C)O

InChI

InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1

InChIKey

MUROKQYXIPVTGD-CBBWQLFWSA-N

Chemical Structure

2D Structure

CAS: 217650-27-6

CID: 91895387

Formula: C15H26O

MW: 222.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.37
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449
Monoisotopic Mass	222.198365449
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes