Sanguisorbigenin

CAT: 0013-GTR19164582-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19164582-01Size:1 mg

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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 Number	6812-98-2
PubChem CID	101967102
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 Formula	C30H46O3
Molecular Weight	454.7
XLogP	6.1
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	33
Formal Charge	0
Complexity	942

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

CAS: 6812-98-2

CID: 101967102

Formula: C30H46O3

MW: 454.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	454.7
XLogP3	6.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	454.34469533
Monoisotopic Mass	454.34469533
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	942
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA1373-5	Sanguisorbigenin

Sanguisorbigenin

Chemical Information

Alternative Products

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