(+) -Bulnesol

CAT: 0926-XAA45173-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XAA45173-04Size:50 mg

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CAS Number

22451-73-6

MDL Number

MFCD00210026

Smiles

C1CCN (C1) CN2C=C (C3=CC=CC=C32) C4=NC (=NO4) CC5=CC=CC=C5

Molecular Formula

C15H26O

Molecular Weight

222.37 g/mol

Controlled

Yes

Chemical Information

Bulnesol

bulnesol has been reported in Cymbopogon schoenanthus, Piper guineense, and other organisms with data available.

CAS Number	22451-73-6
PubChem CID	90785
IUPAC Name	2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol
Molecular Formula	C15H26O
Molecular Weight	222.37
XLogP	2.9
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	301

SMILES

CC1CCC2=C(CCC(CC12)C(C)(C)O)C

InChI

InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3

InChIKey

LGOFSGDSFQNIAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22451-73-6

CID: 90785

Formula: C15H26O

MW: 222.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.37
XLogP3	2.9
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	301
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