Blepharotriol

CAT: 0931-T82859-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T82859-02Size:50 mg

Selected

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

Quick Request Actions

CAS Number

849590-42-7

Target

Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Blepharotriol, a phenolic triterpene isolated from Maytenus blepharodes, exhibits antimicrobial activity, with a minimum inhibitory concentration (MIC) of 8-4 μg/ml against Bacillus subtilis. It also demonstrates cytotoxic activity, with half-maximal inhibitory concentrations (IC50s) of 12.2 μM for HeLa cells, and greater than 20 μM for both Hep-2 and Vero cells [1].

Smiles

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](C(OC)=O)(C)C3)[H])CC[C@]4(C)C2=CC(=O)C=5C4=CC(O)=C(O)C5O

Molecular Formula

C29H38O6

Molecular Weight

482.61

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Blepharotriol

Blepharotriol has been reported in Maytenus woodsonii with data available.

CAS Number	849590-42-7
PubChem CID	102207974
IUPAC Name	methyl (2R,4aS,6aR,6aS,14aS,14bR)-9,10,11-trihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
Molecular Formula	C29H38O6
Molecular Weight	482.6
XLogP	6.7
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	35
Formal Charge	0
Complexity	974

SMILES

C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)O)O)O)C)C)(C)C(=O)OC

InChI

InChI=1S/C29H38O6/c1-25-7-8-26(2,24(34)35-6)15-20(25)29(5)12-10-27(3)16-13-18(31)22(32)23(33)21(16)17(30)14-19(27)28(29,4)11-9-25/h13-14,20,31-33H,7-12,15H2,1-6H3/t20-,25-,26-,27+,28-,29+/m1/s1

InChIKey

HQWIBPMOZRBBCQ-XOKHPUJZSA-N

Chemical Structure

2D Structure

CAS: 849590-42-7

CID: 102207974

Formula: C29H38O6

MW: 482.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.6
XLogP3	6.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	482.26683893
Monoisotopic Mass	482.26683893
Topological Polar Surface Area	104 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	974
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
GTR19218033-01	Blepharotriol

Blepharotriol

Chemical Information

Alternative Products

Popular Products