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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O2
Molecular Weight 442.7168
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URSADIOL

SMILES

CC1(C)CC[C@]2(C)[C@@H](O)C[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1

InChI

InChIKey=RTLXJEJRLWILSU-GWNGJUQLSA-N
InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23-,24-,27-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Description

Coflodiol, also known as ursadiol, is a triterpenoid, isolated from the non-saponifiable lipid fraction of the flower extract of chrysanthemum (Chrysanthemum morifolium). This compound possesses minimal antitubercular activity against Mycobacterium tuberculosis.

Approval Year

2018
425

Conditions

ConditionModalityTargetsHighest PhaseProduct
Mycobacterium tuberculosis
1
 Curative
Basic research
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Antitubercular activity of compounds in DMSO was determined against Mycobacterium tuberculosis H37Rv (ATCC 27294) in Middlebrook 7H12 medium. Minimum Inhibitory Concentrations for Coflodiol was >64 ug/mL
SUBSTANCE RECORD
Structure of URSADIOL
NIH
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