α-costol

CAT: 0926-QCA01815-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QCA01815-05Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

65018-15-7

Smiles

CC1=CCCC2 (C1CC (CC2) C (=C) CO) C

Molecular Formula

C15H24O

Molecular Weight

220.35 g/mol

Controlled

Chemical Information

alpha-Costol

CAS Number	65018-15-7
PubChem CID	73164367
IUPAC Name	2-(4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl)prop-2-en-1-ol
Molecular Formula	C15H24O
Molecular Weight	220.35
XLogP	4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	315

SMILES

CC1=CCCC2(C1CC(CC2)C(=C)CO)C

InChI

InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h5,13-14,16H,2,4,6-10H2,1,3H3

InChIKey

MTJCJJFCDOSALI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65018-15-7

CID: 73164367

Formula: C15H24O

MW: 220.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.35
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	220.182715385
Monoisotopic Mass	220.182715385
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FC65612-01	Costus lactone
FC141815-01	Beta-Costic acid

Catalog	Name
TRC-C697570-0.5MG	beta-Costol
TRC-C697575-25MG	alpha-Costol