Ceanothic acid acetate

CAT: 0926-UEA53363-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-UEA53363-02Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

119533-63-0

MDL Number

MFCD17214910

Smiles

CC (=C) C1CCC2 (C1C3CCC4C (C3 (CC2) C) (CCC5C4 (C (C (C5 (C) C) OC (=O) C) C (=O) O) C) C) C (=O) O

Molecular Formula

C32H48O6

Molecular Weight

528.7 g/mol

Controlled

Chemical Information

Ceanothic acid acetate

CAS Number	119533-63-0
PubChem CID	54598115
IUPAC Name	(1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-acetyloxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
Molecular Formula	C32H48O6
Molecular Weight	528.7
XLogP	7.6
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	38
Formal Charge	0
Complexity	1080

SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@H]([C@@H](C5(C)C)OC(=O)C)C(=O)O)C)C)C(=O)O

InChI

InChI=1S/C32H48O6/c1-17(2)19-11-14-32(27(36)37)16-15-29(6)20(23(19)32)9-10-22-30(29,7)13-12-21-28(4,5)25(38-18(3)33)24(26(34)35)31(21,22)8/h19-25H,1,9-16H2,2-8H3,(H,34,35)(H,36,37)/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1

InChIKey

HMTHVBZILGKTGT-VSBKJJMFSA-N

Chemical Structure

2D Structure

CAS: 119533-63-0

CID: 54598115

Formula: C32H48O6

MW: 528.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	528.7
XLogP3	7.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	528.34508925
Monoisotopic Mass	528.34508925
Topological Polar Surface Area	101 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
WAA30279-01	Ceanothic acid
PIA15074-01	1-Decarboxy-3-oxo-ceanothic acid
FU65546-01	Ursolic acid acetate
FL109940-01	(D-Lys6) -LHRH (free acid) acetate salt
FL108321-01	LHRH (1-2) (free acid) acetate salt
THC97921-01	Trifluoroacetic acid ethyl 2- (morpholin-3-ylformamido) acetate
HAA58520-01	Zirconium acetate, in dilute acetic acid, ca. 16% Zr
FM109220-01	Alpha-MSH (11-13) (free acid) acetate salt
FL49177-01	Lead (IV) acetate - Stabilized with acetic acid (5-10%)
FA108301-01	Ac-Lys-D-Ala-D-lactic acid·acetate

Alternative Products

Catalog	Name
TN3613	Ceanothic acid acetate
TB00872	Ceanothic acid
TBZ1417	27-Hydroxy ceanothic acid
MBS5761174	1-Decarboxy-3-oxo-ceanothic acid
HY-N3559	Emmolic acid, acetate
449987-01	Fendizoic Acid Acetate
HY-N2815-01	Ursolic acid acetate
TQ0285L-01	Spaglumic acid acetate
451185-01	Gibberellic Acid Acetate
GTR19150496-01	Arginylaspartic acid acetate

Ceanothic acid acetate

Chemical Information

Related Products

Alternative Products

Popular Products