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2,3-Dihydroxy-12-oleanen-28-oic acid

CAT: 0926-BBA56368-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BBA56368-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26563-68-8
MDL Number
MFCD09752402
Smiles
CC1 (CCC2 (CCC3 (C (=CCC4C3 (CCC5C4 (CC (C (C5 (C) C) O) O) C) C) C2C1) C) C (=O) O) C
Molecular Formula
C30H48O4
Molecular Weight
472.7 g/mol
Controlled
No

Chemical Information

3-Epimaslinic Acid

Epi-maslinic acid is a pentacyclic triterpenoid that is 3alpha-hydroxy epimer of maslinic acid. Isolated from Prunella vulgaris and Isodon japonicus, it exhibits anti-inflammatory activity. It has a role as a metabolite and an anti-inflammatory agent. It is a pentacyclic triterpenoid and a dihydroxy monocarboxylic acid. It derives from a hydride of an oleanane.

CAS Number26563-68-8
PubChem CID25564831
IUPAC Name(4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC30H48O4
Molecular Weight472.7
XLogP6.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity919
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@H](C3(C)C)O)O)C
InChI
InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1
InChIKey
MDZKJHQSJHYOHJ-HFYZCPLSSA-N
Chemical Structure
2D Structure
2D structure of 3-Epimaslinic Acid
CAS: 26563-68-8
CID: 25564831
Formula: C30H48O4
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP36.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass472.35526001
Monoisotopic Mass472.35526001
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR191826962,3-Dihydroxy-12-oleanen-28-oic acid
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160272(2α,3β) -2,3-Dihydroxy-urs-12-en-28-oic Acid
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TRC-C695600-10MG(2Alpha,3Beta)-2,3-Dihydroxy-urs-12-en-28-oic Acid
MBS57614182alpha,19alpha-Dihydroxy-3-oxo-urs-12-en-28-oic acid
GTR191834903,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
TBW009292 alpha,19 alpha-Dihydroxy-3-oxo-urs-12-en-28-oic acid
MBS5810445Oleana-2,12-dien-28-oic acid

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