Jasminoid A

CAT: 0926-JIC78457-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-JIC78457-02Size:10 mg

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CAS Number

1459784-57-6

Smiles

CC1CCCC2=C (C=C (C (=C12) C) C (=C) CO) O

Molecular Formula

C15H20O2

Molecular Weight

232.32 g/mol

Controlled

Chemical Information

Jasminoid A

CAS Number	1459784-57-6
PubChem CID	134714926
IUPAC Name	(5S)-3-(3-hydroxyprop-1-en-2-yl)-4,5-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular Formula	C15H20O2
Molecular Weight	232.32
XLogP	3.8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	287

SMILES

C[C@H]1CCCC2=C(C=C(C(=C12)C)C(=C)CO)O

InChI

InChI=1S/C15H20O2/c1-9-5-4-6-12-14(17)7-13(10(2)8-16)11(3)15(9)12/h7,9,16-17H,2,4-6,8H2,1,3H3/t9-/m0/s1

InChIKey

WTBQXGRZSKOUQU-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 1459784-57-6

CID: 134714926

Formula: C15H20O2

MW: 232.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.32
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.146329876
Monoisotopic Mass	232.146329876
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19181242	Jasminoid A