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Sanguisorbigenin

CAT: 0013-GTR19164582-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164582-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sanguisorbigenin (Tomentosolic acid) is a natural triterpenoid compound with demonstrated antimicrobial activity against methicillin-resistant Staphylococcus aureus (MRSA) in vitro. Its mechanism and potential for in vivo application make it a candidate for research into novel anti-infective agents.
CAS Number
6812-98-2
Product Name Alternative
3beta-Hydroxyurs-12,19-dien-28-oic acid, 3b-Hydroxyurs-12,19-dien-28-oic acid, 3β-Hydroxyurs-12,19-dien-28-oic acid, 19-Dehydroursolic acid, Bacterial, antibacterial, MRSA, inhibit, PBP2a, Inhibitor, mecA, Tomentosolic acid, S. aureus, Sanguisorbigenin, Ursa-12,19-dien-28-oic acid
Field of Research
Infectious Disease & Virology
Purity
98.11% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:1.67 mg/mL (3.67 mM) ; DMSO:60 mg/mL (131.96 mM)
Smiles
[H][C@@]12CC[C@]3 (C) [C@] ([H]) (CC=C4[C@]5 ([H]) C (C) =C (C) CC[C@@]5 (CC[C@@]34C) C (O) =O) [C@@]1 (C) CC[C@H] (O) C2 (C) C
Molecular Formula
C30H46O3
Molecular Weight
454.69
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Sanguisorbigenin

Sanguisorbigenin has been reported in Sanguisorba officinalis with data available.

CAS Number6812-98-2
PubChem CID101967102
IUPAC Name(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid
Molecular FormulaC30H46O3
Molecular Weight454.7
XLogP6.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count33
Formal Charge0
Complexity942
SMILES
CC1=C([C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1)C(=O)O)C)C)(C)C)O)C)C
InChI
InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)/t21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey
HKJOHXSLBNLQHF-OXLNSTONSA-N
Chemical Structure
2D Structure
2D structure of Sanguisorbigenin
CAS: 6812-98-2
CID: 101967102
Formula: C30H46O3
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass454.34469533
Monoisotopic Mass454.34469533
Topological Polar Surface Area57.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity942
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1373-5Sanguisorbigenin

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