Name: Methyl betulonate
Rating: 4 (6 reviews)

In Stock

SDF File

Edit Structure

Find Similar

HIT ID:HIT218654784
Cas No:4356-31-4
Common Name:Methyl betulonate
alias:Methyl 3-oxolup-20(29)-en-28-oate, Betulonic acid methyl ester
alias:Methyl 3-oxolup-20(29)-en-28-oate, Betulonic acid methyl ester
IUPAC:methyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
IUPAC:methyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
InChI key:XXCPTCZYFSRIGU-DSBZJMBESA-N

Molecular Formula:C31H48O3
Molecular Weight:468.722
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C
SMILES:[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C

Methyl betulonate (Betulonic acid methyl ester), a triterpenoid, demonstrates growth inhibition in eight tumor (including resistant) lines and two normal fibroblast cell lines, with IC 50s exceeding 50.0 μM [1].

Marketplace OffersShowing from 1 suppliers

You cannot determine which compound library is the best fit for your project? Do you need a custom solution? AnyMol is always ready to help you.

：400-820-0310

Loading ~