Belamcandol B

CAT: 0024-sc-503297Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-503297Size:5 mg

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CAS Number

137786-94-8

Chemical Information

3-methoxy-5-[(Z)-pentadec-10-enyl]phenol

3-methoxy-5-[(10Z)-pentadec-10-en-1-yl]phenol has been reported in Iris domestica and Labisia pumila with data available.

CAS Number	137786-94-8
PubChem CID	10969651
IUPAC Name	3-methoxy-5-[(Z)-pentadec-10-enyl]phenol
Molecular Formula	C22H36O2
Molecular Weight	332.5
XLogP	8.4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	24
Formal Charge	0
Complexity	300

SMILES

CCCC/C=C\CCCCCCCCCC1=CC(=CC(=C1)OC)O

InChI

InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(18-20)24-2/h6-7,17-19,23H,3-5,8-16H2,1-2H3/b7-6-

InChIKey

NKOPRUNFJQCUCF-SREVYHEPSA-N

Chemical Structure

2D Structure

CAS: 137786-94-8

CID: 10969651

Formula: C22H36O2

MW: 332.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.5
XLogP3	8.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	332.271530387
Monoisotopic Mass	332.271530387
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TBZ0084	Belamcandol A
162743	Belamcandol B
162075	6-Acetoxy Belamcandol B
TRC-B131200-50MG	Belamcandol B (contains up to 20% trans isomer)