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Chemical structure of Betulinic Acid propargyl ester

GC48477

Betulinic Acid propargyl ester

Also known as prop-2-ynyl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

An alkyne derivative of betulinic acid

ChemicalCAS1400262-27-2MW494.8FormulaC33H50O3
CAS number
1400262-27-2
Molecular weight
494.8
Formula
C33H50O3
Solubility
DMF： 30 mg/ml
InChIKey
WAFZCVHWPIEKKN-ODLWIBRJSA-N
Catalogue number
GC48477
Brand
GLPBIO
Computed properties PubChem CID 70678254 · XLogP 8.6 · TPSA 46.5 Ų · H-bond donors 1
XLogP
8.6
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
36

SMILES CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)OCC#C

Computed descriptors from PubChem (CID 70678254), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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