Prehelminthosporol

CAT: 0926-BAA61913-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA61913-01Size:1 mg

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CAS Number

1619-13-2

Smiles

CC (C) (C) C1=CC=C (C=C1) C2=C (C=NN2) C (=O) O

Molecular Formula

C15H24O2

Molecular Weight

236.35 g/mol

Controlled

Chemical Information

Prehelminthosporol

Prehelminthosporol is a sesquiterpenoid.

CAS Number	1619-13-2
PubChem CID	6451296
IUPAC Name	1-methyl-2-methylidene-9-propan-2-yl-5-oxatricyclo[5.4.0.03,8]undecan-4-ol
Molecular Formula	C15H24O2
Molecular Weight	236.35
XLogP	3.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	349

SMILES

CC(C)C1CCC2(C3C1C(C2=C)C(OC3)O)C

InChI

InChI=1S/C15H24O2/c1-8(2)10-5-6-15(4)9(3)12-13(10)11(15)7-17-14(12)16/h8,10-14,16H,3,5-7H2,1-2,4H3

InChIKey

RVFULFDTCDRKNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1619-13-2

CID: 6451296

Formula: C15H24O2

MW: 236.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.35
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	236.177630004
Monoisotopic Mass	236.177630004
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	349
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N8429-01	Prehelminthosporol