Products for Research Use Only
RegisterLogin

2-Epitormentic acid

CAT: 0013-GTR19182637Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19182637Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
2-Epitormentic acid
CAS Number
119725-19-8
Smiles
C[C@@H]1CC[C@@]2 (CC[C@]3 (C) C (=CC[C@@H]4[C@@]5 (C) C[C@H] (O) [C@H] (O) C (C) (C) [C@@H]5CC[C@@]34C) [C@@H]2[C@]1 (C) O) C (O) =O
Molecular Formula
C30H48O5
Molecular Weight
488.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Epitormentic acid

2beta-hydroxypomolic acid is a triterpenoid. It has a role as a metabolite.

CAS Number119725-19-8
PubChem CID490364
IUPAC Name(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC30H48O5
Molecular Weight488.7
XLogP5
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count35
Formal Charge0
Complexity956
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
InChI
InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19+,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
InChIKey
OXVUXGFZHDKYLS-VCFAZYFWSA-N
Chemical Structure
2D Structure
2D structure of 2-Epitormentic acid
CAS: 119725-19-8
CID: 490364
Formula: C30H48O5
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass488.35017463
Monoisotopic Mass488.35017463
Topological Polar Surface Area98 Ų
Heavy Atom Count35
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR191889232,2-Dibromopropanoic acid
GTR19168343-012,2-Dihydroxyacetic acid
GTR19202843-012,2-Dimethylsuccinic acid
GTR19254716-012,2-Dimethylpentanoic acid
GTR19202836-012-Hydroxyadipic acid
GTR19248682-012-Tridecenoic acid
GTR19248319-012-Hydroxypentanoic acid
GTR19246401-012-Methoxyphenylboronic acid
GTR19246132-012-Methylpropylboronic acid
GTR19246063-012-Naphthylboronic acid

Alternative Products

CatalogName
HY-N17272-Epitormentic acid
D3727-702,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-012-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-452-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-012-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
AR-V01417-01Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid
PC1007558-012- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
14633379-250gHomophthalic acid (2-Carboxyphenylacetic acid)
2144612-Propylvaleric Acid (Valproic Acid)

Popular Products