9-Cis-4-ketoretinol

CAT: 0926-BTB19835-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BTB19835-01Size:5 mg

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CAS Number

1076198-35-0

Smiles

CC1=C (C (CCC1=O) (C) C) C=CC (=CC=CC (=CCO) C) C

Molecular Formula

C20H28O2

Molecular Weight

300.4 g/mol

Controlled

Chemical Information

9-cis-4-Ketoretinol

CAS Number	1076198-35-0
PubChem CID	163285236
IUPAC Name	3-[(1Z,3E,5E,7E)-9-hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Molecular Formula	C20H28O2
Molecular Weight	300.4
XLogP	4.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	567

SMILES

CC1=C(C(CCC1=O)(C)C)/C=C\C(=C\C=C\C(=C\CO)\C)\C

InChI

InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9-,15-7+,16-12+

InChIKey

PLIUCYCUYQIBDZ-XPVCMWBDSA-N

Chemical Structure

2D Structure

CAS: 1076198-35-0

CID: 163285236

Formula: C20H28O2

MW: 300.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.4
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	300.208930132
Monoisotopic Mass	300.208930132
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	567
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FC19821-01	9-cis-β-Carotene
FT32734-01	Cis-9-Tricosene
FR27460-01	Rac 4-Hydroxy-9-cis-retinoic acid
EBA44427-01	9-Cis,13-cis-retinol 15-acetate
MZ30324	Cis-Zeatin-9-glucoside
FR27718	9-cis-Retinol acetate
FR27721-01	9-cis-Retinyl palmitate
FR11993-01	9-cis-Retinoic acid
SYB21962-01	9-Cis,13-cis-retinol 15-acetate-d5
QAA53755-01	Cis-4-thujanol

Catalog	Name
TRC-K205005-1MG	9-cis-4-Ketoretinol
RM-R052002-01	9-Cis-4-Hydroxyretinoic Acid
sc-477908	4-Oxo- (9-cis,13-cis) -Retinoic Acid
TRC-O870350-5MG	4-Oxo-(9-cis,13-cis)-Retinoic Acid
R1659	9-cis Retinal (9-cis-Retinaldehyde, 9-cis-Vitamin A aldehyde, Isoretinene a)
sc-234395	Cis, cis-1,9-Cyclohexadecadiene
sc-477237A	9-cis,13-cis-Retinol
RM-V307943-01	9,13-Cis, Cis Vitamin A
433310-01	4-Oxo- (9-cis,13-cis) -Retinoic-d7 Acid
TRC-O870352-25MG	4-Oxo-(9-cis,13-cis)-Retinoic-d7 Acid