CAS 473-98-3 Betulin - Analytical Products / Alfa Chemistry

CAT	APS473983
CAS	473-98-3
Structure
MDL Number	MFCD00016802
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-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]chrysen-9-ol
Molecular Weight	442.72
Molecular Formula	C30H50O2
EC Number	207-475-5
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
InChI	InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChI Key	FVWJYYTZTCVBKE-ROUWMTJPSA-N

Description	analytical standard
Accurate Mass	442.3811
Assay	≥97.5% (TLC)
Form	neat; gas chromatography (GC): suitable
Format	Neat
Grade	analytical standard
MP	256-257 °C (lit.)
Shipping	Room Temperature
Size	1G
Storage Conditions	-20°C Freezer
Subcategory	Additional pharmaceutical toxicology reference materials, Additional pharmaceutical toxicology research materials