Myrtenol glucoside

CAT: 0926-XM182733-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-XM182733-01Size:100 mg

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CAS Number

128385-61-5

Synonyms

6,6-Dimethylbicyclo (3.1.1) hept-2-ene-2-methyl-O-β-D-glucopyranoside

Smiles

C (O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) C=2C3C (C) (C) C (C3) CC2

Molecular Formula

C16H26O6

Molecular Weight

314.37 g/mol

Controlled

Chemical Information

Myrtenol glucoside

CAS Number	128385-61-5
PubChem CID	145869356
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C16H26O6
Molecular Weight	314.37
XLogP	0
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	448

SMILES

CC1(C2CC=C(C1C2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C

InChI

InChI=1S/C16H26O6/c1-16(2)9-4-3-8(10(16)5-9)7-21-15-14(20)13(19)12(18)11(6-17)22-15/h3,9-15,17-20H,4-7H2,1-2H3/t9?,10?,11-,12-,13+,14-,15-/m1/s1

InChIKey

ATKXBUNPUFHUHF-GUOHCIKTSA-N

Chemical Structure

2D Structure

CAS: 128385-61-5

CID: 145869356

Formula: C16H26O6

MW: 314.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.37
XLogP3	0
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	314.17293854
Monoisotopic Mass	314.17293854
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	448
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM57844-01	Myrtenol
FM67625-01	(-) -Myrtenol
OZ30320-01	Trans-Zeatin-9-glucoside-o-glucoside
FGA83554-01	Diboa-glucoside
FC63181-01	Coco glucoside
MS44387-01	Stigmasterol glucoside
XG182727-01	Guaiacol glucoside
XB182721-01	(-) -Borneol glucoside
FL183752-01	Linalool glucoside
CCA76670-01	Medicarpin glucoside

Catalog	Name
TRC-M885068-1G	(±)-Myrtenol
HY-W576589-01	(±) -Myrtenol
MBS5762812	(-)-Myrtenol
M32035-01	(-) -Myrtenol
284754-01	Myrtenol
HY-N8829R	(-) -Myrtenol (Standard)
TRC-M125410-100MG	(1S)-(+)-Myrtenol
MBS6062661-01	Myrtenol Pivalate
sc-237833	(1R) - (-) -Myrtenol
005229	O-tert-Butyl-carbonyl-4-oxo Myrtenol